Task 38682525

Name test_539-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8757_0
Workunit 31624132
Created 27 Oct 2026, 8:06:03 UTC
Sent 27 Oct 2026, 8:06:06 UTC
Report deadline 1 Nov 2026, 8:06:06 UTC
Received 27 Oct 2026, 11:11:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 45 min 44 sec
CPU time 43 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.25 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:26:54 (8860): wrapper (7.9.26016): starting
06:26:54 (8860): 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
06:26:56 (8860): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:26:56 (8860): 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\36\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\36\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
07:10:41 (8860): C:/Windows/system32/cmd.exe exited; CPU time 2613.671875
07:10:41 (8860): 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: 46197142 bytes.
Dumping objects ->
{3835225} normal block at 0x000002221D1F1560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002221D1F1170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000002221D1F14F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x000002221D1F0840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002221D1F0990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x000002221D29B600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x000002221D29BDB0, 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) : {3835136} normal block at 0x000002221B4F77B0, 8 bytes long.
 Data: <    "   > 00 00 02 1D 22 02 00 00 
{3834533} normal block at 0x000002221D29C710, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000002221B4F7DA0, 8 bytes long.
 Data: <0 & "   > 30 8D 26 1D 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002221B500FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002221B4ECA90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002221B502B40, 16 bytes long.
 Data: <83P "           > 38 33 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002221B502F00, 16 bytes long.
 Data: < 3P "           > 10 33 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002221B4FDED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002221B5028C0, 16 bytes long.
 Data: <&#232;2P "           > E8 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002221B502AA0, 16 bytes long.
 Data: <&#192;2P "           > C0 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002221B502870, 16 bytes long.
 Data: < 2P "           > 98 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002221B502370, 16 bytes long.
 Data: <p2P "           > 70 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002221B4FBE10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002221B502EB0, 16 bytes long.
 Data: <x\N "           > 78 5C 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002221B4FD5D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002221B502820, 16 bytes long.
 Data: <P\N "           > 50 5C 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002221B5020A0, 16 bytes long.
 Data: <(\N "           > 28 5C 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002221B5027D0, 16 bytes long.
 Data: < \N "           > 00 5C 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002221B502230, 16 bytes long.
 Data: <&#216;[N "           > D8 5B 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002221B502C30, 16 bytes long.
 Data: <&#176;[N "           > B0 5B 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002221B502550, 16 bytes long.
 Data: < [N "           > 88 5B 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002221B4FD330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002221B5023C0, 16 bytes long.
 Data: <`[N "           > 60 5B 4E 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002221B4E5B60, 320 bytes long.
 Data: <&#192;#P "   0&#211;O "   > C0 23 50 1B 22 02 00 00 30 D3 4F 1B 22 02 00 00 
{272} normal block at 0x000002221B502A00, 16 bytes long.
 Data: <P2P "           > 50 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002221B5024B0, 16 bytes long.
 Data: <(2P "           > 28 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002221B4FD270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002221B502780, 16 bytes long.
 Data: < 2P "           > 00 32 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002221B4FD0F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002221B5021E0, 16 bytes long.
 Data: <H1P "           > 48 31 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002221B502AF0, 16 bytes long.
 Data: < 1P "           > 20 31 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002221B502640, 16 bytes long.
 Data: <&#248;0P "           > F8 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002221B502E60, 16 bytes long.
 Data: <&#208;0P "           > D0 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002221B502190, 16 bytes long.
 Data: <&#168;0P "           > A8 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002221B5029B0, 16 bytes long.
 Data: < 0P "           > 80 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002221B502F50, 16 bytes long.
 Data: <`&#191;O "           > 60 BF 4F 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002221B4FBF60, 40 bytes long.
 Data: <P/P "    &#182;) "   > 50 2F 50 1B 22 02 00 00 00 B6 29 1D 22 02 00 00 
{258} normal block at 0x000002221B5025F0, 16 bytes long.
 Data: <`0P "           > 60 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002221B5025A0, 16 bytes long.
 Data: <80P "           > 38 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002221B4FDF30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002221B502960, 16 bytes long.
 Data: < 0P "           > 10 30 50 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002221B503010, 992 bytes long.
 Data: <`)P "   0&#223;O "   > 60 29 50 1B 22 02 00 00 30 DF 4F 1B 22 02 00 00 
{90} normal block at 0x000002221B4FD1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002221B4F7A80, 16 bytes long.
 Data: < &#193;O "           > 90 C1 4F 1B 22 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002221B4FC190, 40 bytes long.
 Data: < zO "   &#176;&#209;O "   > 80 7A 4F 1B 22 02 00 00 B0 D1 4F 1B 22 02 00 00 
{67} normal block at 0x000002221B4F7760, 16 bytes long.
 Data: < &#234;&#217;&#218;&#247;           > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002221B4F7BC0, 16 bytes long.
 Data: <@&#233;&#217;&#218;&#247;           > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002221B4F7490, 16 bytes long.
 Data: <&#248;W&#214;&#218;&#247;           > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002221B4F7030, 16 bytes long.
 Data: <&#216;W&#214;&#218;&#247;           > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002221B4F7710, 16 bytes long.
 Data: <P &#214;&#218;&#247;           > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002221B4F7D00, 16 bytes long.
 Data: <0 &#214;&#218;&#247;           > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002221B4F7670, 16 bytes long.
 Data: <&#224; &#214;&#218;&#247;           > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002221B4F7170, 16 bytes long.
 Data: <  &#214;&#218;&#247;           > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002221B4F78F0, 16 bytes long.
 Data: <p &#214;&#218;&#247;           > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002221B4F7A30, 16 bytes long.
 Data: < &#192;&#212;&#218;&#247;           > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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