Task 38677451

Name test_937-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8160_0
Workunit 31619322
Created 26 Oct 2026, 14:23:09 UTC
Sent 26 Oct 2026, 14:23:13 UTC
Report deadline 31 Oct 2026, 14:23:13 UTC
Received 26 Oct 2026, 14:54:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 53 sec
CPU time 27 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.84 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:24:31 (11376): wrapper (7.9.26016): starting
14:24:31 (11376): 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
14:24:32 (11376): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:24:32 (11376): 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\12\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\12\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
14:53:18 (11376): C:/Windows/system32/cmd.exe exited; CPU time 1651.218750
14:53:18 (11376): 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: 26666251 bytes.
Dumping objects ->
{3835306} normal block at 0x0000020021C3C880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000020020104790, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000020020104720, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x0000020020104AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000020020104640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000020021C88900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000020021C9E1A0, 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) : {3835217} normal block at 0x00000200200FFF30, 8 bytes long.
 Data: <  J     > 00 00 4A 20 00 02 00 00 
{3834571} normal block at 0x0000020021C9ED50, 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 0x00000200200FFB70, 8 bytes long.
 Data: <`A&#206;!    > 60 41 CE 21 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020020101170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000200200EF9C0, 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 0x0000020020105E80, 16 bytes long.
 Data: < c              > 08 63 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020020105570, 16 bytes long.
 Data: <&#224;b              > E0 62 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200200FEF50, 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 0x00000200201057A0, 16 bytes long.
 Data: <&#184;b              > B8 62 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020020105340, 16 bytes long.
 Data: < b              > 90 62 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020020105750, 16 bytes long.
 Data: <hb              > 68 62 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000200201052A0, 16 bytes long.
 Data: <@b              > 40 62 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020020104870, 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 0x0000020020105250, 16 bytes long.
 Data: <h&#181;              > 68 B5 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000200200FE6B0, 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 0x00000200201051B0, 16 bytes long.
 Data: <@&#181;              > 40 B5 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020020105020, 16 bytes long.
 Data: < &#181;              > 18 B5 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020020105CA0, 16 bytes long.
 Data: <&#240;&#180;              > F0 B4 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020020105660, 16 bytes long.
 Data: <&#200;&#180;              > C8 B4 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020020105930, 16 bytes long.
 Data: <&#160;&#180;              > A0 B4 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020020105AC0, 16 bytes long.
 Data: <x&#180;              > 78 B4 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200200FF310, 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 0x0000020020105610, 16 bytes long.
 Data: <P&#180;              > 50 B4 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000200200EB450, 320 bytes long.
 Data: < V       &#243;      > 10 56 10 20 00 02 00 00 10 F3 0F 20 00 02 00 00 
{274} normal block at 0x0000020020105CF0, 16 bytes long.
 Data: < b              > 20 62 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020020105D40, 16 bytes long.
 Data: <&#248;a              > F8 61 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200200FE770, 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 0x00000200201057F0, 16 bytes long.
 Data: <&#208;a              > D0 61 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200200FEE90, 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 0x0000020020105160, 16 bytes long.
 Data: < a              > 18 61 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020020105A70, 16 bytes long.
 Data: <&#240;`              > F0 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000200201059D0, 16 bytes long.
 Data: <&#200;`              > C8 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020020105C50, 16 bytes long.
 Data: <&#160;`              > A0 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020020105110, 16 bytes long.
 Data: <x`              > 78 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020020105200, 16 bytes long.
 Data: <P`              > 50 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020020105070, 16 bytes long.
 Data: <&#240;D              > F0 44 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000200201044F0, 40 bytes long.
 Data: <pP       &#137;&#200;!    > 70 50 10 20 00 02 00 00 00 89 C8 21 00 02 00 00 
{260} normal block at 0x0000020020105E30, 16 bytes long.
 Data: <0`              > 30 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000200201053E0, 16 bytes long.
 Data: < `              > 08 60 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000200200FEA70, 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 0x0000020020105B10, 16 bytes long.
 Data: <&#224;_              > E0 5F 10 20 00 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020020105FE0, 992 bytes long.
 Data: < [      p&#234;      > 10 5B 10 20 00 02 00 00 70 EA 0F 20 00 02 00 00 
{92} normal block at 0x00000200200FED70, 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 0x00000200200FFD00, 16 bytes long.
 Data: <0&#211;              > 30 D3 0E 20 00 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000200200ED330, 40 bytes long.
 Data: < &#253;      p&#237;      > 00 FD 0F 20 00 02 00 00 70 ED 0F 20 00 02 00 00 
{69} normal block at 0x00000200200FF800, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000200200FF8A0, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000200200FFBC0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000200200FF530, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200201003E0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200201000C0, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000200201002A0, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020020100070, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000200200FFB20, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000200200FF4E0, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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