Task 38602523

Name p38_A04_A14_r0_1-QUICO_ATM_GAFF2_NAGL_p38-4-6-RND6584_1
Workunit 31556920
Created 10 Apr 2026, 3:06:50 UTC
Sent 10 Apr 2026, 3:06:58 UTC
Report deadline 15 Apr 2026, 3:06:58 UTC
Received 10 Apr 2026, 3:10:21 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 645379
Run time 2 min 10 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 17,851.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.92 MB
Peak swap size 36.84 MB
Peak disk usage 1.49 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:07:41 (32196): wrapper (7.9.26016): starting
05:07:41 (32196): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A14_0.pdb
QB_A04_A14_0.xml
QB_A04_A14.inpcrd
QB_A04_A14_input.yaml
QB_A04_A14.pdb
QB_A04_A14.prmtop
QB_A04_A14_sys.xml
run.bat
run.sh
05:08:49 (32196): Library/usr/bin/tar.exe exited; CPU time 0.031250
05:08:49 (32196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000014C2F221A90>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000014C2F2A46D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000014C2F2A4D10>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000014C2F2A55D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000014C2F2A6110>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B674AE13D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B674AE21D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B674AE2DD0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B674AE3A10>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B674B00310>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
05:09:13 (32196): C:/Windows/system32/cmd.exe exited; CPU time 0.359375
05:09:13 (32196): app exit status: 0x16
05:09:13 (32196): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 1504991 bytes.
Dumping objects ->
{3835509} normal block at 0x000002BC2E8A3CF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000002BC2CA04BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000002BC2CA04A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835476} normal block at 0x000002BC2CA05020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000002BC2CA04FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835434} normal block at 0x000002BC2E819D10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x000002BC2E82E4A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835420} normal block at 0x000002BC2C9FE040, 8 bytes long.
 Data: <   -&#188;   > 00 00 0B 2D BC 02 00 00 
{3834680} normal block at 0x000002BC2E82EAD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002BC2C9FE180, 8 bytes long.
 Data: <&#160;&#215;&#158;,&#188;   > A0 D7 9E 2C BC 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002BC2C9F3150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002BC2C9EEF50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002BC2CA05B20, 16 bytes long.
 Data: <&#248;d&#160;,&#188;           > F8 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002BC2CA058F0, 16 bytes long.
 Data: <&#208;d&#160;,&#188;           > D0 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BC2CA01A90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002BC2CA054E0, 16 bytes long.
 Data: <&#168;d&#160;,&#188;           > A8 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BC2CA05490, 16 bytes long.
 Data: < d&#160;,&#188;           > 80 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BC2CA053F0, 16 bytes long.
 Data: <Xd&#160;,&#188;           > 58 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BC2CA05300, 16 bytes long.
 Data: <0d&#160;,&#188;           > 30 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BC2CA04D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002BC2CA05260, 16 bytes long.
 Data: <H &#159;,&#188;           > 48 10 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BC2CA02090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002BC2CA05E40, 16 bytes long.
 Data: <  &#159;,&#188;           > 20 10 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BC2CA053A0, 16 bytes long.
 Data: <&#248; &#159;,&#188;           > F8 0F 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BC2CA055D0, 16 bytes long.
 Data: <&#208; &#159;,&#188;           > D0 0F 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BC2CA05210, 16 bytes long.
 Data: <&#168; &#159;,&#188;           > A8 0F 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BC2CA05350, 16 bytes long.
 Data: <  &#159;,&#188;           > 80 0F 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BC2CA06020, 16 bytes long.
 Data: <X &#159;,&#188;           > 58 0F 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BC2CA01AF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002BC2CA05DF0, 16 bytes long.
 Data: <0 &#159;,&#188;           > 30 0F 9F 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BC2C9F0F30, 320 bytes long.
 Data: <&#240;]&#160;,&#188;   &#240; &#160;,&#188;   > F0 5D A0 2C BC 02 00 00 F0 1A A0 2C BC 02 00 00 
{276} normal block at 0x000002BC2CA06110, 16 bytes long.
 Data: < d&#160;,&#188;           > 10 64 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BC2CA05850, 16 bytes long.
 Data: <&#232;c&#160;,&#188;           > E8 63 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BC2CA018B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002BC2CA056C0, 16 bytes long.
 Data: <&#192;c&#160;,&#188;           > C0 63 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BC2CA01EB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002BC2CA05AD0, 16 bytes long.
 Data: < c&#160;,&#188;           > 08 63 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BC2CA05F30, 16 bytes long.
 Data: <&#224;b&#160;,&#188;           > E0 62 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BC2CA05D00, 16 bytes long.
 Data: <&#184;b&#160;,&#188;           > B8 62 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BC2CA05940, 16 bytes long.
 Data: < b&#160;,&#188;           > 90 62 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BC2CA060C0, 16 bytes long.
 Data: <hb&#160;,&#188;           > 68 62 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BC2CA05DA0, 16 bytes long.
 Data: <@b&#160;,&#188;           > 40 62 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BC2CA05FD0, 16 bytes long.
 Data: <&#224;J&#160;,&#188;           > E0 4A A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BC2CA04AE0, 40 bytes long.
 Data: <&#208;_&#160;,&#188;      .&#188;   > D0 5F A0 2C BC 02 00 00 10 9D 81 2E BC 02 00 00 
{262} normal block at 0x000002BC2CA05580, 16 bytes long.
 Data: < b&#160;,&#188;           > 20 62 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BC2CA05EE0, 16 bytes long.
 Data: <&#248;a&#160;,&#188;           > F8 61 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BC2CA01730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002BC2CA05F80, 16 bytes long.
 Data: <&#208;a&#160;,&#188;           > D0 61 A0 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BC2CA061D0, 992 bytes long.
 Data: < _&#160;,&#188;   0 &#160;,&#188;   > 80 5F A0 2C BC 02 00 00 30 17 A0 2C BC 02 00 00 
{94} normal block at 0x000002BC2CA02270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002BC2C9FE2C0, 16 bytes long.
 Data: <p&#241;&#158;,&#188;           > 70 F1 9E 2C BC 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002BC2C9EF170, 40 bytes long.
 Data: <&#192;&#226;&#159;,&#188;   p"&#160;,&#188;   > C0 E2 9F 2C BC 02 00 00 70 22 A0 2C BC 02 00 00 
{71} normal block at 0x000002BC2C9FE680, 16 bytes long.
 Data: < &#234;&#147;u&#246;           > 80 EA 93 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002BC2C9FDE10, 16 bytes long.
 Data: <@&#233;&#147;u&#246;           > 40 E9 93 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002BC2C9FDFF0, 16 bytes long.
 Data: <&#248;W u&#246;           > F8 57 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BC2C9FDFA0, 16 bytes long.
 Data: <&#216;W u&#246;           > D8 57 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BC2C9FE4A0, 16 bytes long.
 Data: <P  u&#246;           > 50 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BC2C9FE7C0, 16 bytes long.
 Data: <0  u&#246;           > 30 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BC2C9FDCD0, 16 bytes long.
 Data: <&#224;  u&#246;           > E0 02 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BC2C9FDB40, 16 bytes long.
 Data: <   u&#246;           > 10 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BC2C9FE9A0, 16 bytes long.
 Data: <p  u&#246;           > 70 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BC2C9FE630, 16 bytes long.
 Data: < &#192;&#142;u&#246;           > 18 C0 8E 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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