Task 38671869

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND5548_0
Workunit 31614052
Created 25 Oct 2026, 21:49:30 UTC
Sent 25 Oct 2026, 21:49:33 UTC
Report deadline 30 Oct 2026, 21:49:33 UTC
Received 25 Oct 2026, 23:53:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 32 min 45 sec
CPU time 30 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 811.11 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:20:53 (18412): wrapper (7.9.26016): starting
01:20:53 (18412): 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
01:20:54 (18412): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:20:54 (18412): 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
01:52:37 (18412): C:/Windows/system32/cmd.exe exited; CPU time 1856.468750
01:52:37 (18412): called boinc_finish(0)
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: 52500295 bytes.
Dumping objects ->
{3835491} normal block at 0x000002B4C989E490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000002B4C989D930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000002B4C989DA80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x000002B4C7AF5320, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002B4C7AF52B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x000002B4C98EC2B0, 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) : {3835403} normal block at 0x000002B4C7AEE370, 8 bytes long.
 Data: <  &#171;&#199;&#180;   > 00 00 AB C7 B4 02 00 00 
{3833963} normal block at 0x000002B4C7AEE000, 8 bytes long.
 Data: <&#208;F&#175;&#199;&#180;   > D0 46 AF C7 B4 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002B4C7AF1B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B4C7AE62E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002B4C7AF6040, 16 bytes long.
 Data: <&#248;k&#175;&#199;&#180;           > F8 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B4C7AF6810, 16 bytes long.
 Data: <&#208;k&#175;&#199;&#180;           > D0 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B4C7AEFA50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002B4C7AF5960, 16 bytes long.
 Data: <&#168;k&#175;&#199;&#180;           > A8 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B4C7AF67C0, 16 bytes long.
 Data: < k&#175;&#199;&#180;           > 80 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B4C7AF6680, 16 bytes long.
 Data: <Xk&#175;&#199;&#180;           > 58 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B4C7AF5D20, 16 bytes long.
 Data: <0k&#175;&#199;&#180;           > 30 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B4C7AF5390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002B4C7AF59B0, 16 bytes long.
 Data: <&#232;&#239;&#173;&#199;&#180;           > E8 EF AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B4C7AEF330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002B4C7AF64F0, 16 bytes long.
 Data: <&#192;&#239;&#173;&#199;&#180;           > C0 EF AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B4C7AF6630, 16 bytes long.
 Data: < &#239;&#173;&#199;&#180;           > 98 EF AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B4C7AF5CD0, 16 bytes long.
 Data: <p&#239;&#173;&#199;&#180;           > 70 EF AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B4C7AF5F50, 16 bytes long.
 Data: <H&#239;&#173;&#199;&#180;           > 48 EF AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B4C7AF5AF0, 16 bytes long.
 Data: < &#239;&#173;&#199;&#180;           > 20 EF AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B4C7AF5FF0, 16 bytes long.
 Data: <&#248;&#238;&#173;&#199;&#180;           > F8 EE AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B4C7AEF570, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002B4C7AF6090, 16 bytes long.
 Data: <&#208;&#238;&#173;&#199;&#180;           > D0 EE AD C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B4C7ADEED0, 320 bytes long.
 Data: < `&#175;&#199;&#180;   p&#245;&#174;&#199;&#180;   > 90 60 AF C7 B4 02 00 00 70 F5 AE C7 B4 02 00 00 
{277} normal block at 0x000002B4C7AF5BE0, 16 bytes long.
 Data: < k&#175;&#199;&#180;           > 10 6B AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B4C7AF5C80, 16 bytes long.
 Data: <&#232;j&#175;&#199;&#180;           > E8 6A AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B4C7AEFF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002B4C7AF5B90, 16 bytes long.
 Data: <&#192;j&#175;&#199;&#180;           > C0 6A AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B4C7AEF810, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002B4C7AF6770, 16 bytes long.
 Data: < j&#175;&#199;&#180;           > 08 6A AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B4C7AF5E60, 16 bytes long.
 Data: <&#224;i&#175;&#199;&#180;           > E0 69 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B4C7AF6310, 16 bytes long.
 Data: <&#184;i&#175;&#199;&#180;           > B8 69 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B4C7AF6130, 16 bytes long.
 Data: < i&#175;&#199;&#180;           > 90 69 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B4C7AF5910, 16 bytes long.
 Data: <hi&#175;&#199;&#180;           > 68 69 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B4C7AF5AA0, 16 bytes long.
 Data: <@i&#175;&#199;&#180;           > 40 69 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B4C7AF5FA0, 16 bytes long.
 Data: <&#192;N&#175;&#199;&#180;           > C0 4E AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B4C7AF4EC0, 40 bytes long.
 Data: <&#160;_&#175;&#199;&#180;   &#176;&#194;&#142;&#201;&#180;   > A0 5F AF C7 B4 02 00 00 B0 C2 8E C9 B4 02 00 00 
{263} normal block at 0x000002B4C7AF60E0, 16 bytes long.
 Data: < i&#175;&#199;&#180;           > 20 69 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B4C7AF65E0, 16 bytes long.
 Data: <&#248;h&#175;&#199;&#180;           > F8 68 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B4C7AEF7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002B4C7AF5C30, 16 bytes long.
 Data: <&#208;h&#175;&#199;&#180;           > D0 68 AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B4C7AF68D0, 992 bytes long.
 Data: <0\&#175;&#199;&#180;   &#176;&#247;&#174;&#199;&#180;   > 30 5C AF C7 B4 02 00 00 B0 F7 AE C7 B4 02 00 00 
{95} normal block at 0x000002B4C7AF0050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002B4C7AED6A0, 16 bytes long.
 Data: <pM&#175;&#199;&#180;           > 70 4D AF C7 B4 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002B4C7AF4D70, 40 bytes long.
 Data: <&#160;&#214;&#174;&#199;&#180;   P &#175;&#199;&#180;   > A0 D6 AE C7 B4 02 00 00 50 00 AF C7 B4 02 00 00 
{72} normal block at 0x000002B4C7AEDDD0, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B4C7AEDF10, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B4C7AED650, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B4C7AED740, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B4C7AEDB00, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B4C7AEE320, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B4C7AEDCE0, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B4C7AED4C0, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B4C7AEE2D0, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B4C7AEE1E0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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