Task 38656109

Name test_588-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND9358_0
Workunit 31599854
Created 24 Oct 2026, 10:19:47 UTC
Sent 24 Oct 2026, 10:21:59 UTC
Report deadline 29 Oct 2026, 10:21:59 UTC
Received 24 Oct 2026, 21:46:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652159
Run time 1 hours 56 min 21 sec
CPU time 1 hours 37 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.85 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:54:55 (4180): wrapper (7.9.26016): starting
17:54:55 (4180): 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
17:55:02 (4180): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:55:02 (4180): 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\19\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\19\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
19:45:38 (4180): C:/Windows/system32/cmd.exe exited; CPU time 5843.781250
19:45:38 (4180): 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: 118804229 bytes.
Dumping objects ->
{3835634} normal block at 0x000002395F3F7530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835623} normal block at 0x000002395D7F5430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835612} normal block at 0x000002395D7F53C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835601} normal block at 0x000002395D7F50B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000002395D7F5040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835559} normal block at 0x000002395F3AB5A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000002395F3BEFF0, 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) : {3835545} normal block at 0x000002395D7EDBD0, 8 bytes long.
 Data: <  &#212;]9   > 00 00 D4 5D 39 02 00 00 
{3834730} normal block at 0x000002395F3BF200, 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 0x000002395D7EDB30, 8 bytes long.
 Data: < :@_9   > 00 3A 40 5F 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002395D7F1F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002395D7E6F50, 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 0x000002395D7F5CD0, 16 bytes long.
 Data: <&#200;n ]9           > C8 6E 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002395D7F67C0, 16 bytes long.
 Data: <&#160;n ]9           > A0 6E 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002395D7EFF00, 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 0x000002395D7F64A0, 16 bytes long.
 Data: <xn ]9           > 78 6E 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002395D7F66D0, 16 bytes long.
 Data: <Pn ]9           > 50 6E 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002395D7F60E0, 16 bytes long.
 Data: <(n ]9           > 28 6E 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002395D7F5C80, 16 bytes long.
 Data: < n ]9           > 00 6E 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002395D7F5120, 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 0x000002395D7F6680, 16 bytes long.
 Data: <&#216;&#148;~]9           > D8 94 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002395D7EFEA0, 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 0x000002395D7F5EB0, 16 bytes long.
 Data: <&#176;&#148;~]9           > B0 94 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002395D7F6720, 16 bytes long.
 Data: < &#148;~]9           > 88 94 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002395D7F5C30, 16 bytes long.
 Data: <`&#148;~]9           > 60 94 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002395D7F69F0, 16 bytes long.
 Data: <8&#148;~]9           > 38 94 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002395D7F6540, 16 bytes long.
 Data: < &#148;~]9           > 10 94 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002395D7F6450, 16 bytes long.
 Data: <&#232;&#147;~]9           > E8 93 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002395D7EFFC0, 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 0x000002395D7F6090, 16 bytes long.
 Data: <&#192;&#147;~]9           > C0 93 7E 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002395D7E93C0, 320 bytes long.
 Data: < ` ]9   &#192;&#255;~]9   > 90 60 7F 5D 39 02 00 00 C0 FF 7E 5D 39 02 00 00 
{274} normal block at 0x000002395D7F5F50, 16 bytes long.
 Data: <&#224;m ]9           > E0 6D 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002395D7F6630, 16 bytes long.
 Data: <&#184;m ]9           > B8 6D 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002395D7EFC60, 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 0x000002395D7F64F0, 16 bytes long.
 Data: < m ]9           > 90 6D 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002395D7EFD20, 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 0x000002395D7F63B0, 16 bytes long.
 Data: <&#216;l ]9           > D8 6C 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002395D7F6AE0, 16 bytes long.
 Data: <&#176;l ]9           > B0 6C 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002395D7F6B30, 16 bytes long.
 Data: < l ]9           > 88 6C 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002395D7F65E0, 16 bytes long.
 Data: <`l ]9           > 60 6C 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002395D7F6400, 16 bytes long.
 Data: <8l ]9           > 38 6C 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002395D7F6810, 16 bytes long.
 Data: < l ]9           > 10 6C 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002395D7F5BE0, 16 bytes long.
 Data: <`V ]9           > 60 56 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002395D7F5660, 40 bytes long.
 Data: <&#224;[ ]9   &#160;&#181;:_9   > E0 5B 7F 5D 39 02 00 00 A0 B5 3A 5F 39 02 00 00 
{260} normal block at 0x000002395D7F6310, 16 bytes long.
 Data: <&#240;k ]9           > F0 6B 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002395D7F6590, 16 bytes long.
 Data: <&#200;k ]9           > C8 6B 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002395D7EFBA0, 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 0x000002395D7F6040, 16 bytes long.
 Data: <&#160;k ]9           > A0 6B 7F 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002395D7F6BA0, 992 bytes long.
 Data: <@` ]9   &#160;&#251;~]9   > 40 60 7F 5D 39 02 00 00 A0 FB 7E 5D 39 02 00 00 
{92} normal block at 0x000002395D7EF660, 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 0x000002395D7EE490, 16 bytes long.
 Data: <P&#241;}]9           > 50 F1 7D 5D 39 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002395D7DF150, 40 bytes long.
 Data: < &#228;~]9   `&#246;~]9   > 90 E4 7E 5D 39 02 00 00 60 F6 7E 5D 39 02 00 00 
{69} normal block at 0x000002395D7EE440, 16 bytes long.
 Data: < &#234;&#134;d&#246;           > 80 EA 86 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002395D7ED770, 16 bytes long.
 Data: <@&#233;&#134;d&#246;           > 40 E9 86 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002395D7EE030, 16 bytes long.
 Data: <&#248;W&#131;d&#246;           > F8 57 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002395D7EDEF0, 16 bytes long.
 Data: <&#216;W&#131;d&#246;           > D8 57 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002395D7EE080, 16 bytes long.
 Data: <P &#131;d&#246;           > 50 04 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002395D7ED720, 16 bytes long.
 Data: <0 &#131;d&#246;           > 30 04 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002395D7EDFE0, 16 bytes long.
 Data: <&#224; &#131;d&#246;           > E0 02 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002395D7EE2B0, 16 bytes long.
 Data: <  &#131;d&#246;           > 10 04 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002395D7EE3F0, 16 bytes long.
 Data: <p &#131;d&#246;           > 70 04 83 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002395D7ED7C0, 16 bytes long.
 Data: < &#192; d&#246;           > 18 C0 81 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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