Task 38601299

Name MCL1_A28_A25_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-4-6-RND0786_1
Workunit 31555892
Created 9 Apr 2026, 12:27:39 UTC
Sent 9 Apr 2026, 12:27:40 UTC
Report deadline 14 Apr 2026, 12:27:40 UTC
Received 10 Apr 2026, 5:02:18 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 627850
Run time 1 min 5 sec
CPU time 3 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 14,495.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 46.66 MB
Peak swap size 35.73 MB
Peak disk usage 1.46 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
23:59:53 (19200): wrapper (7.9.26016): starting
23:59:53 (19200): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A25_0.pdb
QB_A28_A25_0.xml
QB_A28_A25.inpcrd
QB_A28_A25_input.yaml
QB_A28_A25.pdb
QB_A28_A25.prmtop
QB_A28_A25_sys.xml
run.bat
run.sh
23:59:54 (19200): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:59:54 (19200): 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 0x0000018651EDF1D0>: 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 0x0000018651EF0950>: 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 0x0000018651EF1210>: 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 0x0000018651EF1AD0>: 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 0x0000018651EF2350>: 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 0x000002435F429E50>: 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 0x000002435F42A650>: 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 0x000002435F42B150>: 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 0x000002435F42BD90>: 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 0x000002435F444990>: 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\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
00:00:26 (19200): C:/Windows/system32/cmd.exe exited; CPU time 3.328125
00:00:26 (19200): app exit status: 0x16
00:00:26 (19200): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 458133 bytes.
Dumping objects ->
{3835304} normal block at 0x00000218950007D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x00000218950012C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835282} normal block at 0x0000021895001560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835271} normal block at 0x00000218950011E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000021895001480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835229} normal block at 0x00000218950AD210, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002189344D150, 180 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) : {3835215} normal block at 0x00000218933666C0, 8 bytes long.
 Data: <  ,&#147;    > 00 00 2C 93 18 02 00 00 
{3834569} normal block at 0x000002189344DC90, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000021893366B20, 8 bytes long.
 Data: <&#160;  &#149;    > A0 98 14 95 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021893372E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002189336C150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000021893374C40, 16 bytes long.
 Data: <&#200;P7&#147;            > C8 50 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021893374CE0, 16 bytes long.
 Data: <&#160;P7&#147;            > A0 50 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002189336DE30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000021893374C90, 16 bytes long.
 Data: <xP7&#147;            > 78 50 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000218933748D0, 16 bytes long.
 Data: <PP7&#147;            > 50 50 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021893374AB0, 16 bytes long.
 Data: <(P7&#147;            > 28 50 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021893374010, 16 bytes long.
 Data: < P7&#147;            > 00 50 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002189336B5C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000021893374A60, 16 bytes long.
 Data: <(&#186;5&#147;            > 28 BA 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002189336DEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000021893374A10, 16 bytes long.
 Data: < &#186;5&#147;            > 00 BA 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000218933746A0, 16 bytes long.
 Data: <&#216; 5&#147;            > D8 B9 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021893373FC0, 16 bytes long.
 Data: <&#176; 5&#147;            > B0 B9 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000218933740B0, 16 bytes long.
 Data: <  5&#147;            > 88 B9 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021893373E80, 16 bytes long.
 Data: <` 5&#147;            > 60 B9 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021893373E30, 16 bytes long.
 Data: <8 5&#147;            > 38 B9 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002189336D590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000021893374920, 16 bytes long.
 Data: <  5&#147;            > 10 B9 35 93 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002189335B910, 320 bytes long.
 Data: < I7&#147;    &#144;&#213;6&#147;    > 20 49 37 93 18 02 00 00 90 D5 36 93 18 02 00 00 
{268} normal block at 0x0000021893374970, 16 bytes long.
 Data: <&#224;O7&#147;            > E0 4F 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000218933741A0, 16 bytes long.
 Data: <&#184;O7&#147;            > B8 4F 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002189336DDD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000021893374600, 16 bytes long.
 Data: <&#144;O7&#147;            > 90 4F 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002189336DB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000021893374650, 16 bytes long.
 Data: <&#216;N7&#147;            > D8 4E 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021893374060, 16 bytes long.
 Data: <&#176;N7&#147;            > B0 4E 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021893374740, 16 bytes long.
 Data: < N7&#147;            > 88 4E 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021893374380, 16 bytes long.
 Data: <`N7&#147;            > 60 4E 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000218933745B0, 16 bytes long.
 Data: <8N7&#147;            > 38 4E 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021893374100, 16 bytes long.
 Data: < N7&#147;            > 10 4E 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021893374330, 16 bytes long.
 Data: <&#144;&#179;6&#147;            > 90 B3 36 93 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002189336B390, 40 bytes long.
 Data: <0C7&#147;     &#210; &#149;    > 30 43 37 93 18 02 00 00 10 D2 0A 95 18 02 00 00 
{254} normal block at 0x00000218933749C0, 16 bytes long.
 Data: <&#240;M7&#147;            > F0 4D 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021893373F70, 16 bytes long.
 Data: <&#200;M7&#147;            > C8 4D 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002189336D350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000021893373F20, 16 bytes long.
 Data: <&#160;M7&#147;            > A0 4D 37 93 18 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021893374DA0, 992 bytes long.
 Data: < ?7&#147;    P&#211;6&#147;    > 20 3F 37 93 18 02 00 00 50 D3 36 93 18 02 00 00 
{86} normal block at 0x000002189336DB30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000218933664E0, 16 bytes long.
 Data: < &#176;6&#147;            > 10 B0 36 93 18 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002189336B010, 40 bytes long.
 Data: <&#224;d6&#147;    0&#219;6&#147;    > E0 64 36 93 18 02 00 00 30 DB 36 93 18 02 00 00 
{63} normal block at 0x0000021893366C60, 16 bytes long.
 Data: <&#128;&#234;&#132;e&#246;           > 80 EA 84 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021893366580, 16 bytes long.
 Data: <@&#233;&#132;e&#246;           > 40 E9 84 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021893366670, 16 bytes long.
 Data: <&#248;W&#129;e&#246;           > F8 57 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021893366A80, 16 bytes long.
 Data: <&#216;W&#129;e&#246;           > D8 57 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021893366350, 16 bytes long.
 Data: <P &#129;e&#246;           > 50 04 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021893366490, 16 bytes long.
 Data: <0 &#129;e&#246;           > 30 04 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021893366FD0, 16 bytes long.
 Data: <&#224; &#129;e&#246;           > E0 02 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021893366A30, 16 bytes long.
 Data: <  &#129;e&#246;           > 10 04 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021893366440, 16 bytes long.
 Data: <p &#129;e&#246;           > 70 04 81 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000218933663A0, 16 bytes long.
 Data: < &#192; e&#246;           > 18 C0 7F 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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