Task 38599906

Name MCL1_A27_A40_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-2-6-RND9056_0
Workunit 31554726
Created 8 Apr 2026, 22:17:14 UTC
Sent 8 Apr 2026, 22:17:17 UTC
Report deadline 13 Apr 2026, 22:17:17 UTC
Received 9 Apr 2026, 13:00:14 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 608046
Run time 1 min 25 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 58,716.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.71 MB
Peak swap size 38.90 MB
Peak disk usage 1.46 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:37:45 (2648): wrapper (7.9.26016): starting
11:37:45 (2648): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A40_0.pdb
QB_A27_A40_0.xml
QB_A27_A40.inpcrd
QB_A27_A40_input.yaml
QB_A27_A40.pdb
QB_A27_A40.prmtop
QB_A27_A40_sys.xml
run.bat
run.sh
11:37:46 (2648): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:37:46 (2648): 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 0x000001B37B183E10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001B37B18C750>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001B37B18D050>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001B37B18D8D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001B37B18E250>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002433CCA9610>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002433CCA9B50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002433CCAAA10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002433CCAB610>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002433CCC0290>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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\\18\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
11:38:11 (2648): C:/Windows/system32/cmd.exe exited; CPU time 1.812500
11:38:11 (2648): app exit status: 0x16
11:38:11 (2648): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 767941 bytes.
Dumping objects ->
{3835610} normal block at 0x00000168513F11E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835599} normal block at 0x00000168513F14F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835588} normal block at 0x00000168513F1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835577} normal block at 0x00000168513F0A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835566} normal block at 0x00000168513F0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835535} normal block at 0x00000168514E5FE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835522} normal block at 0x000001684F8DE2D0, 8 bytes long.
 Data: <  &#200;Oh   > 00 00 C8 4F 68 01 00 00 
{3833977} normal block at 0x000001684F8DE050, 8 bytes long.
 Data: <&#160;&#223;&#140;Oh   > A0 DF 8C 4F 68 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001684F8D1D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001684F8D2120, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001684F8E7610, 16 bytes long.
 Data: <&#216;{&#142;Oh           > D8 7B 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001684F8E6DA0, 16 bytes long.
 Data: <&#176;{&#142;Oh           > B0 7B 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001684F8E0AF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001684F8E6D50, 16 bytes long.
 Data: < {&#142;Oh           > 88 7B 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001684F8E77A0, 16 bytes long.
 Data: <`{&#142;Oh           > 60 7B 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001684F8E75C0, 16 bytes long.
 Data: <8{&#142;Oh           > 38 7B 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001684F8E73E0, 16 bytes long.
 Data: < {&#142;Oh           > 10 7B 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001684F8E1400, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001684F8E7570, 16 bytes long.
 Data: <&#248;&#250;&#140;Oh           > F8 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001684F8E0250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001684F8E6B70, 16 bytes long.
 Data: <&#208;&#250;&#140;Oh           > D0 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001684F8E77F0, 16 bytes long.
 Data: <&#168;&#250;&#140;Oh           > A8 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001684F8E7390, 16 bytes long.
 Data: < &#250;&#140;Oh           > 80 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001684F8E7520, 16 bytes long.
 Data: <X&#250;&#140;Oh           > 58 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001684F8E6D00, 16 bytes long.
 Data: <0&#250;&#140;Oh           > 30 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001684F8E7480, 16 bytes long.
 Data: < &#250;&#140;Oh           > 08 FA 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001684F8E04F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001684F8E6BC0, 16 bytes long.
 Data: <&#224;&#249;&#140;Oh           > E0 F9 8C 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001684F8CF9E0, 320 bytes long.
 Data: <&#192;k&#142;Oh   &#240; &#142;Oh   > C0 6B 8E 4F 68 01 00 00 F0 04 8E 4F 68 01 00 00 
{284} normal block at 0x000001684F8E6E90, 16 bytes long.
 Data: <&#240;z&#142;Oh           > F0 7A 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001684F8E76B0, 16 bytes long.
 Data: <&#200;z&#142;Oh           > C8 7A 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001684F8E0BB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001684F8E7340, 16 bytes long.
 Data: <&#160;z&#142;Oh           > A0 7A 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001684F8E0370, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001684F8E72F0, 16 bytes long.
 Data: <&#232;y&#142;Oh           > E8 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001684F8E6B20, 16 bytes long.
 Data: <&#192;y&#142;Oh           > C0 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001684F8E6AD0, 16 bytes long.
 Data: < y&#142;Oh           > 98 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001684F8E7750, 16 bytes long.
 Data: <py&#142;Oh           > 70 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001684F8E6E40, 16 bytes long.
 Data: <Hy&#142;Oh           > 48 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001684F8E6C60, 16 bytes long.
 Data: < y&#142;Oh           > 20 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001684F8E74D0, 16 bytes long.
 Data: <&#192; &#142;Oh           > C0 15 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001684F8E15C0, 40 bytes long.
 Data: <&#208;t&#142;Oh   &#224;_NQh   > D0 74 8E 4F 68 01 00 00 E0 5F 4E 51 68 01 00 00 
{270} normal block at 0x000001684F8E7200, 16 bytes long.
 Data: < y&#142;Oh           > 00 79 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001684F8E71B0, 16 bytes long.
 Data: <&#216;x&#142;Oh           > D8 78 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001684F8E0F10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001684F8E7020, 16 bytes long.
 Data: <&#176;x&#142;Oh           > B0 78 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001684F8E78B0, 992 bytes long.
 Data: < p&#142;Oh     &#142;Oh   > 20 70 8E 4F 68 01 00 00 10 0F 8E 4F 68 01 00 00 
{102} normal block at 0x000001684F8E01F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001684F8DDFB0, 16 bytes long.
 Data: <  &#142;Oh           > 90 13 8E 4F 68 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001684F8E1390, 40 bytes long.
 Data: <&#176;&#223; Oh   &#240; &#142;Oh   > B0 DF 8D 4F 68 01 00 00 F0 01 8E 4F 68 01 00 00 
{79} normal block at 0x000001684F8DE690, 16 bytes long.
 Data: < &#234;&#195;&#253;&#246;           > 80 EA C3 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001684F8DE500, 16 bytes long.
 Data: <@&#233;&#195;&#253;&#246;           > 40 E9 C3 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001684F8DDE20, 16 bytes long.
 Data: <&#248;W&#192;&#253;&#246;           > F8 57 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001684F8DE1E0, 16 bytes long.
 Data: <&#216;W&#192;&#253;&#246;           > D8 57 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001684F8DE3C0, 16 bytes long.
 Data: <P &#192;&#253;&#246;           > 50 04 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001684F8DDDD0, 16 bytes long.
 Data: <0 &#192;&#253;&#246;           > 30 04 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001684F8DE190, 16 bytes long.
 Data: <&#224; &#192;&#253;&#246;           > E0 02 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001684F8DE0A0, 16 bytes long.
 Data: <  &#192;&#253;&#246;           > 10 04 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001684F8DDF60, 16 bytes long.
 Data: <p &#192;&#253;&#246;           > 70 04 C0 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001684F8DE9B0, 16 bytes long.
 Data: < &#192;&#190;&#253;&#246;           > 18 C0 BE FD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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