Task 38698886

Name test_385-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0194_1
Workunit 31639350
Created 3 Nov 2026, 5:54:51 UTC
Sent 3 Nov 2026, 5:54:54 UTC
Report deadline 8 Nov 2026, 5:54:54 UTC
Received 3 Nov 2026, 6:39:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638240
Run time 35 min 21 sec
CPU time 30 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.48 MB
Peak swap size 12.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:04:24 (6736): wrapper (7.9.26016): starting
22:04:24 (6736): 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
22:04:29 (6736): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:04:29 (6736): 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\35\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\35\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
22:38:34 (6736): C:/Windows/system32/cmd.exe exited; CPU time 1822.375000
22:38:34 (6736): 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: 23525475 bytes.
Dumping objects ->
{3835554} normal block at 0x0000025567473FF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000025567474220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000025567474610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000025567474060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x00000255674745A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000025569286880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000002556929D890, 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) : {3835464} normal block at 0x000002556746EA90, 8 bytes long.
 Data: <  &#145;gU   > 00 00 91 67 55 02 00 00 
{3834683} normal block at 0x000002556929D7E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002556746DD70, 8 bytes long.
 Data: <P&#235;TgU   > 50 EB 54 67 55 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000255674703D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025567465450, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000255674751D0, 16 bytes long.
 Data: < \GgU           > 98 5C 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025567474E60, 16 bytes long.
 Data: <p\GgU           > 70 5C 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002556746EDC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000025567474B90, 16 bytes long.
 Data: <H\GgU           > 48 5C 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025567474E10, 16 bytes long.
 Data: < \GgU           > 20 5C 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025567475720, 16 bytes long.
 Data: <&#248;[GgU           > F8 5B 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000255674754F0, 16 bytes long.
 Data: <&#208;[GgU           > D0 5B 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000255674740D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000025567475450, 16 bytes long.
 Data: <H&#134;FgU           > 48 86 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002556746EE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000025567474C30, 16 bytes long.
 Data: < &#134;FgU           > 20 86 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025567475630, 16 bytes long.
 Data: <&#248;&#133;FgU           > F8 85 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025567474F50, 16 bytes long.
 Data: <&#208;&#133;FgU           > D0 85 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025567475860, 16 bytes long.
 Data: <&#168;&#133;FgU           > A8 85 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025567475770, 16 bytes long.
 Data: < &#133;FgU           > 80 85 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025567474CD0, 16 bytes long.
 Data: <X&#133;FgU           > 58 85 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002556746ECA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000025567475400, 16 bytes long.
 Data: <0&#133;FgU           > 30 85 46 67 55 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025567468530, 320 bytes long.
 Data: < TGgU   &#160;&#236;FgU   > 00 54 47 67 55 02 00 00 A0 EC 46 67 55 02 00 00 
{273} normal block at 0x0000025567474AF0, 16 bytes long.
 Data: <&#176;[GgU           > B0 5B 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025567475360, 16 bytes long.
 Data: < [GgU           > 88 5B 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002556746F840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000025567474D70, 16 bytes long.
 Data: <`[GgU           > 60 5B 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002556746F9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000025567475180, 16 bytes long.
 Data: <&#168;ZGgU           > A8 5A 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025567475130, 16 bytes long.
 Data: < ZGgU           > 80 5A 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000255674753B0, 16 bytes long.
 Data: <XZGgU           > 58 5A 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025567474FF0, 16 bytes long.
 Data: <0ZGgU           > 30 5A 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025567474BE0, 16 bytes long.
 Data: < ZGgU           > 08 5A 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025567474B40, 16 bytes long.
 Data: <&#224;YGgU           > E0 59 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025567474FA0, 16 bytes long.
 Data: <0EGgU           > 30 45 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025567474530, 40 bytes long.
 Data: <&#160;OGgU    h(iU   > A0 4F 47 67 55 02 00 00 80 68 28 69 55 02 00 00 
{259} normal block at 0x00000255674749B0, 16 bytes long.
 Data: <&#192;YGgU           > C0 59 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025567474DC0, 16 bytes long.
 Data: < YGgU           > 98 59 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002556746ED60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000025567474AA0, 16 bytes long.
 Data: <pYGgU           > 70 59 47 67 55 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025567475970, 992 bytes long.
 Data: <&#160;JGgU   `&#237;FgU   > A0 4A 47 67 55 02 00 00 60 ED 46 67 55 02 00 00 
{91} normal block at 0x000002556746FA80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002556746E810, 16 bytes long.
 Data: < &#238;EgU           > 90 EE 45 67 55 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002556745EE90, 40 bytes long.
 Data: < &#232;FgU    &#250;FgU   > 10 E8 46 67 55 02 00 00 80 FA 46 67 55 02 00 00 
{68} normal block at 0x000002556746E4A0, 16 bytes long.
 Data: < &#234;&&#221;&#246;           > 80 EA 26 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002556746DFF0, 16 bytes long.
 Data: <@&#233;&&#221;&#246;           > 40 E9 26 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002556746E7C0, 16 bytes long.
 Data: <&#248;W#&#221;&#246;           > F8 57 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002556746E1D0, 16 bytes long.
 Data: <&#216;W#&#221;&#246;           > D8 57 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002556746E9A0, 16 bytes long.
 Data: <P #&#221;&#246;           > 50 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002556746E630, 16 bytes long.
 Data: <0 #&#221;&#246;           > 30 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002556746E310, 16 bytes long.
 Data: <&#224; #&#221;&#246;           > E0 02 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002556746E950, 16 bytes long.
 Data: <  #&#221;&#246;           > 10 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002556746DFA0, 16 bytes long.
 Data: <p #&#221;&#246;           > 70 04 23 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002556746E770, 16 bytes long.
 Data: < &#192;!&#221;&#246;           > 18 C0 21 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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