Task 38699162

Name test_267-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5916_0
Workunit 31639593
Created 3 Nov 2026, 17:18:30 UTC
Sent 3 Nov 2026, 17:18:34 UTC
Report deadline 8 Nov 2026, 17:18:34 UTC
Received 3 Nov 2026, 19:15:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 594563
Run time 1 hours 47 min 46 sec
CPU time 1 hours 41 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,147.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.55 MB
Peak swap size 6.87 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:30:08 (9432): wrapper (7.9.26016): starting
18:30:08 (9432): 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
18:30:11 (9432): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:30:11 (9432): 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
20:14:40 (9432): C:/Windows/system32/cmd.exe exited; CPU time 6117.343750
20:14:40 (9432): 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: 123540427 bytes.
Dumping objects ->
{3835500} normal block at 0x000001B952864EC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001B952865400, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000001B952865240, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x000001B952865390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001B952864E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000001B95443A4B0, 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) : {3835412} normal block at 0x000001B95285E4C0, 8 bytes long.
 Data: <   R&#185;   > 00 00 7F 52 B9 01 00 00 
{3833961} normal block at 0x000001B95285DE30, 8 bytes long.
 Data: <@&#235;&#147;R&#185;   > 40 EB 93 52 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B952861B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B9528566E0, 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 0x000001B952865DF0, 16 bytes long.
 Data: <&#248;n&#134;R&#185;           > F8 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B952866930, 16 bytes long.
 Data: <&#208;n&#134;R&#185;           > D0 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B95285FF60, 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 0x000001B952866A70, 16 bytes long.
 Data: <&#168;n&#134;R&#185;           > A8 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B952866B60, 16 bytes long.
 Data: < n&#134;R&#185;           > 80 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B952866110, 16 bytes long.
 Data: <Xn&#134;R&#185;           > 58 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B952866A20, 16 bytes long.
 Data: <0n&#134;R&#185;           > 30 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B9528652B0, 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 0x000001B952866250, 16 bytes long.
 Data: <&#232;&#247;&#132;R&#185;           > E8 F7 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B95285F7E0, 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 0x000001B952866390, 16 bytes long.
 Data: <&#192;&#247;&#132;R&#185;           > C0 F7 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B952866070, 16 bytes long.
 Data: < &#247;&#132;R&#185;           > 98 F7 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B952865D50, 16 bytes long.
 Data: <p&#247;&#132;R&#185;           > 70 F7 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B952866570, 16 bytes long.
 Data: <H&#247;&#132;R&#185;           > 48 F7 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B952865C10, 16 bytes long.
 Data: < &#247;&#132;R&#185;           > 20 F7 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B952865FD0, 16 bytes long.
 Data: <&#248;&#246;&#132;R&#185;           > F8 F6 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B95285F900, 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 0x000001B9528669D0, 16 bytes long.
 Data: <&#208;&#246;&#132;R&#185;           > D0 F6 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B95284F6D0, 320 bytes long.
 Data: <&#208;i&#134;R&#185;    &#249;&#133;R&#185;   > D0 69 86 52 B9 01 00 00 00 F9 85 52 B9 01 00 00 
{276} normal block at 0x000001B9528668E0, 16 bytes long.
 Data: < n&#134;R&#185;           > 10 6E 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B952865C60, 16 bytes long.
 Data: <&#232;m&#134;R&#185;           > E8 6D 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9528601A0, 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 0x000001B952866980, 16 bytes long.
 Data: <&#192;m&#134;R&#185;           > C0 6D 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B952860080, 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 0x000001B952865D00, 16 bytes long.
 Data: < m&#134;R&#185;           > 08 6D 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B952865EE0, 16 bytes long.
 Data: <&#224;l&#134;R&#185;           > E0 6C 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B952866700, 16 bytes long.
 Data: <&#184;l&#134;R&#185;           > B8 6C 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B952865DA0, 16 bytes long.
 Data: < l&#134;R&#185;           > 90 6C 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B952866160, 16 bytes long.
 Data: <hl&#134;R&#185;           > 68 6C 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B952866520, 16 bytes long.
 Data: <@l&#134;R&#185;           > 40 6C 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B952866890, 16 bytes long.
 Data: <pT&#134;R&#185;           > 70 54 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B952865470, 40 bytes long.
 Data: < h&#134;R&#185;   &#176;&#164;CT&#185;   > 90 68 86 52 B9 01 00 00 B0 A4 43 54 B9 01 00 00 
{262} normal block at 0x000001B952866750, 16 bytes long.
 Data: < l&#134;R&#185;           > 20 6C 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B9528660C0, 16 bytes long.
 Data: <&#248;k&#134;R&#185;           > F8 6B 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B95285FE40, 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 0x000001B952865F80, 16 bytes long.
 Data: <&#208;k&#134;R&#185;           > D0 6B 86 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B952866BD0, 992 bytes long.
 Data: < _&#134;R&#185;   @&#254;&#133;R&#185;   > 80 5F 86 52 B9 01 00 00 40 FE 85 52 B9 01 00 00 
{94} normal block at 0x000001B952860140, 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 0x000001B95285E650, 16 bytes long.
 Data: < &#233;&#132;R&#185;           > 20 E9 84 52 B9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B95284E920, 40 bytes long.
 Data: <P&#230;&#133;R&#185;   @ &#134;R&#185;   > 50 E6 85 52 B9 01 00 00 40 01 86 52 B9 01 00 00 
{71} normal block at 0x000001B95285E380, 16 bytes long.
 Data: < &#234;+u&#246;           > 80 EA 2B 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B95285E150, 16 bytes long.
 Data: <@&#233;+u&#246;           > 40 E9 2B 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B95285E470, 16 bytes long.
 Data: <&#248;W(u&#246;           > F8 57 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B95285DC00, 16 bytes long.
 Data: <&#216;W(u&#246;           > D8 57 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B95285E6A0, 16 bytes long.
 Data: <P (u&#246;           > 50 04 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B95285E2E0, 16 bytes long.
 Data: <0 (u&#246;           > 30 04 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B95285DB60, 16 bytes long.
 Data: <&#224; (u&#246;           > E0 02 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B95285E100, 16 bytes long.
 Data: <  (u&#246;           > 10 04 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B95285E290, 16 bytes long.
 Data: <p (u&#246;           > 70 04 28 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B95285E240, 16 bytes long.
 Data: < &#192;&u&#246;           > 18 C0 26 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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