Task 38676293

Name test_597-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5344_0
Workunit 31618220
Created 26 Oct 2026, 10:51:32 UTC
Sent 26 Oct 2026, 10:51:34 UTC
Report deadline 31 Oct 2026, 10:51:34 UTC
Received 26 Oct 2026, 11:25:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 53 sec
CPU time 15 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.54 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:09:33 (36740): wrapper (7.9.26016): starting
12:09:33 (36740): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
12:09:34 (36740): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:09:34 (36740): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:24:51 (36740): C:/Windows/system32/cmd.exe exited; CPU time 900.437500
12:24:51 (36740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 23677652 bytes.
Dumping objects ->
{3835546} normal block at 0x00000200AC6D4210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x00000200AC6D3F70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x00000200AC6D4590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x00000200AC6D42F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000200AC6D3FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x00000200AE498B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000200AE4AC880, 85 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) : {3835457} normal block at 0x00000200AC6CE8A0, 8 bytes long.
 Data: <  &#182;&#172;    > 00 00 B6 AC 00 02 00 00 
{3834685} normal block at 0x00000200AE4ACF60, 85 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 0x00000200AC6CEC60, 8 bytes long.
 Data: <&#160;BO&#174;    > A0 42 4F AE 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000200AC6D0910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000200AC6BC960, 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 0x00000200AC6D5AF0, 16 bytes long.
 Data: < `m&#172;            > 18 60 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000200AC6D5230, 16 bytes long.
 Data: <&#240;_m&#172;            > F0 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000200AC6CF250, 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 0x00000200AC6D5640, 16 bytes long.
 Data: <&#200;_m&#172;            > C8 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200AC6D5910, 16 bytes long.
 Data: <&#160;_m&#172;            > A0 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000200AC6D52D0, 16 bytes long.
 Data: <x_m&#172;            > 78 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000200AC6D5280, 16 bytes long.
 Data: <P_m&#172;            > 50 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000200AC6D4050, 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 0x00000200AC6D55F0, 16 bytes long.
 Data: < &#222;l&#172;            > 08 DE 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000200AC6CFE50, 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 0x00000200AC6D54B0, 16 bytes long.
 Data: <&#224;&#221;l&#172;            > E0 DD 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000200AC6D4E70, 16 bytes long.
 Data: <&#184;&#221;l&#172;            > B8 DD 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000200AC6D4D80, 16 bytes long.
 Data: < &#221;l&#172;            > 90 DD 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000200AC6D5B90, 16 bytes long.
 Data: <h&#221;l&#172;            > 68 DD 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000200AC6D55A0, 16 bytes long.
 Data: <@&#221;l&#172;            > 40 DD 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000200AC6D5960, 16 bytes long.
 Data: < &#221;l&#172;            > 18 DD 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000200AC6CFA90, 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 0x00000200AC6D4D30, 16 bytes long.
 Data: <&#240;&#220;l&#172;            > F0 DC 6C AC 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200AC6CDCF0, 320 bytes long.
 Data: <0Mm&#172;     &#250;l&#172;    > 30 4D 6D AC 00 02 00 00 90 FA 6C AC 00 02 00 00 
{276} normal block at 0x00000200AC6D5320, 16 bytes long.
 Data: <0_m&#172;            > 30 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000200AC6D5460, 16 bytes long.
 Data: < _m&#172;            > 08 5F 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000200AC6CF430, 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 0x00000200AC6D58C0, 16 bytes long.
 Data: <&#224;^m&#172;            > E0 5E 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200AC6CF610, 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 0x00000200AC6D5730, 16 bytes long.
 Data: <(^m&#172;            > 28 5E 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200AC6D5410, 16 bytes long.
 Data: < ^m&#172;            > 00 5E 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200AC6D5870, 16 bytes long.
 Data: <&#216;]m&#172;            > D8 5D 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000200AC6D5B40, 16 bytes long.
 Data: <&#176;]m&#172;            > B0 5D 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000200AC6D5550, 16 bytes long.
 Data: < ]m&#172;            > 88 5D 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000200AC6D5AA0, 16 bytes long.
 Data: <`]m&#172;            > 60 5D 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000200AC6D53C0, 16 bytes long.
 Data: <&#208;Cm&#172;            > D0 43 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200AC6D43D0, 40 bytes long.
 Data: <&#192;Sm&#172;     &#139;I&#174;    > C0 53 6D AC 00 02 00 00 80 8B 49 AE 00 02 00 00 
{262} normal block at 0x00000200AC6D5370, 16 bytes long.
 Data: <@]m&#172;            > 40 5D 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000200AC6D57D0, 16 bytes long.
 Data: < ]m&#172;            > 18 5D 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000200AC6CFDF0, 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 0x00000200AC6D5500, 16 bytes long.
 Data: <&#240;\m&#172;            > F0 5C 6D AC 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000200AC6D5CF0, 992 bytes long.
 Data: < Um&#172;    &#240;&#253;l&#172;    > 00 55 6D AC 00 02 00 00 F0 FD 6C AC 00 02 00 00 
{94} normal block at 0x00000200AC6CF7F0, 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 0x00000200AC6CE800, 16 bytes long.
 Data: <&#224;&#184;k&#172;            > E0 B8 6B AC 00 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000200AC6BB8E0, 40 bytes long.
 Data: < &#232;l&#172;    &#240;&#247;l&#172;    > 00 E8 6C AC 00 02 00 00 F0 F7 6C AC 00 02 00 00 
{71} normal block at 0x00000200AC6CE210, 16 bytes long.
 Data: < &#234;t &#246;           > 80 EA 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000200AC6CE030, 16 bytes long.
 Data: <@&#233;t &#246;           > 40 E9 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000200AC6CE1C0, 16 bytes long.
 Data: <&#248;Wq &#246;           > F8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000200AC6CE440, 16 bytes long.
 Data: <&#216;Wq &#246;           > D8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000200AC6CECB0, 16 bytes long.
 Data: <P q &#246;           > 50 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000200AC6CE7B0, 16 bytes long.
 Data: <0 q &#246;           > 30 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200AC6CEAD0, 16 bytes long.
 Data: <&#224; q &#246;           > E0 02 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200AC6CED50, 16 bytes long.
 Data: <  q &#246;           > 10 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000200AC6CE5D0, 16 bytes long.
 Data: <p q &#246;           > 70 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000200AC6CE670, 16 bytes long.
 Data: < &#192;o &#246;           > 18 C0 6F 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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