Task 38657406

Name test_759-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND5443_0
Workunit 31601060
Created 24 Oct 2026, 11:38:00 UTC
Sent 24 Oct 2026, 11:43:43 UTC
Report deadline 29 Oct 2026, 11:43:43 UTC
Received 24 Oct 2026, 13:36:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 1 hours 10 min 37 sec
CPU time 37 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.68 MB
Peak swap size 3.09 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:33:28 (11076): wrapper (7.9.26016): starting
14:33:28 (11076): 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
14:33:57 (11076): Library/usr/bin/tar.exe exited; CPU time 0.125000
14:33:57 (11076): 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
15:36:33 (11076): C:/Windows/system32/cmd.exe exited; CPU time 2240.656250
15:36:33 (11076): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 66328379 bytes.
Dumping objects ->
{3835268} normal block at 0x00000204BD7558A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x00000204BD755BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000204BD7557C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x00000204BD755750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000204BD7559F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x00000204BF44B450, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x00000204BF460290, 102 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) : {3835178} normal block at 0x00000204BD750860, 8 bytes long.
 Data: <  q     > 00 00 71 BD 04 02 00 00 
{3834559} normal block at 0x00000204BF45FA50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000204BD750A40, 8 bytes long.
 Data: <0ZM&#191;    > 30 5A 4D BF 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000204BD7529F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000204BD747530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000204BD757740, 16 bytes long.
 Data: <8hu             > 38 68 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000204BD756B60, 16 bytes long.
 Data: < hu             > 10 68 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204BD74ECB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000204BD756C00, 16 bytes long.
 Data: <&#232;gu             > E8 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204BD7576F0, 16 bytes long.
 Data: <&#192;gu             > C0 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000204BD757420, 16 bytes long.
 Data: < gu             > 98 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000204BD756BB0, 16 bytes long.
 Data: <pgu             > 70 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204BD755D00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000204BD7574C0, 16 bytes long.
 Data: <X&#188;s             > 58 BC 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204BD74E830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000204BD757600, 16 bytes long.
 Data: <0&#188;s             > 30 BC 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204BD756E30, 16 bytes long.
 Data: < &#188;s             > 08 BC 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204BD757290, 16 bytes long.
 Data: <&#224;&#187;s             > E0 BB 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000204BD756CF0, 16 bytes long.
 Data: <&#184;&#187;s             > B8 BB 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204BD7577E0, 16 bytes long.
 Data: < &#187;s             > 90 BB 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000204BD757380, 16 bytes long.
 Data: <h&#187;s             > 68 BB 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204BD74E4D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000204BD757240, 16 bytes long.
 Data: <@&#187;s             > 40 BB 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000204BD73BB40, 320 bytes long.
 Data: <@ru     &#208;&#228;t     > 40 72 75 BD 04 02 00 00 D0 E4 74 BD 04 02 00 00 
{274} normal block at 0x00000204BD757510, 16 bytes long.
 Data: <Pgu             > 50 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204BD7575B0, 16 bytes long.
 Data: <(gu             > 28 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000204BD74E890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000204BD757790, 16 bytes long.
 Data: < gu             > 00 67 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000204BD74EE30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000204BD757650, 16 bytes long.
 Data: <Hfu             > 48 66 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000204BD7576A0, 16 bytes long.
 Data: < fu             > 20 66 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000204BD757560, 16 bytes long.
 Data: <&#248;eu             > F8 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000204BD756B10, 16 bytes long.
 Data: <&#208;eu             > D0 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000204BD7570B0, 16 bytes long.
 Data: <&#168;eu             > A8 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204BD750310, 16 bytes long.
 Data: < eu             > 80 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000204BD750270, 16 bytes long.
 Data: < \u             > 90 5C 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204BD755C90, 40 bytes long.
 Data: <p u     P&#180;D&#191;    > 70 02 75 BD 04 02 00 00 50 B4 44 BF 04 02 00 00 
{260} normal block at 0x00000204BD7501D0, 16 bytes long.
 Data: <`eu             > 60 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000204BD750B30, 16 bytes long.
 Data: <8eu             > 38 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000204BD74E650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000204BD7509A0, 16 bytes long.
 Data: < eu             > 10 65 75 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000204BD756510, 992 bytes long.
 Data: <&#160;	u     P&#230;t     > A0 09 75 BD 04 02 00 00 50 E6 74 BD 04 02 00 00 
{92} normal block at 0x00000204BD74E170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000204BD7507C0, 16 bytes long.
 Data: < &#239;s             > 00 EF 73 BD 04 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000204BD73EF00, 40 bytes long.
 Data: <&#192; u     p&#225;t     > C0 07 75 BD 04 02 00 00 70 E1 74 BD 04 02 00 00 
{69} normal block at 0x00000204BD7509F0, 16 bytes long.
 Data: < &#234;?#&#246;           > 80 EA 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000204BD74FC30, 16 bytes long.
 Data: <@&#233;?#&#246;           > 40 E9 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000204BD750540, 16 bytes long.
 Data: <&#248;W<#&#246;           > F8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000204BD750450, 16 bytes long.
 Data: <&#216;W<#&#246;           > D8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000204BD750950, 16 bytes long.
 Data: <P <#&#246;           > 50 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000204BD74FFA0, 16 bytes long.
 Data: <0 <#&#246;           > 30 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000204BD74FFF0, 16 bytes long.
 Data: <&#224; <#&#246;           > E0 02 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000204BD750900, 16 bytes long.
 Data: <  <#&#246;           > 10 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000204BD750400, 16 bytes long.
 Data: <p <#&#246;           > 70 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000204BD750590, 16 bytes long.
 Data: < &#192;:#&#246;           > 18 C0 3A 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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