Task 38686185

Name test_925-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9753_0
Workunit 31627623
Created 28 Oct 2026, 1:09:56 UTC
Sent 28 Oct 2026, 1:09:58 UTC
Report deadline 2 Nov 2026, 1:09:58 UTC
Received 28 Oct 2026, 1:31:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629402
Run time 21 min 18 sec
CPU time 19 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,621.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.86 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:11:01 (51516): wrapper (7.9.26016): starting
20:11:01 (51516): 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
20:11:02 (51516): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:11:02 (51516): 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\31\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\31\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
20:31:33 (51516): C:/Windows/system32/cmd.exe exited; CPU time 1189.125000
20:31:33 (51516): 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: 22104795 bytes.
Dumping objects ->
{3835311} normal block at 0x000001F77B20D4C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001F77B20DA70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001F77B20DB50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001F7793F4730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001F7793F4C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001F77B2560F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001F77B26E6F0, 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) : {3835222} normal block at 0x000001F7793F1120, 8 bytes long.
 Data: <  &#155;y&#247;   > 00 00 9B 79 F7 01 00 00 
{3834575} normal block at 0x000001F77B26ED20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001F7793F0AE0, 8 bytes long.
 Data: < &#230;Ly&#247;   > 10 E6 4C 79 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F7793E6DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F7793E7400, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F7793F6090, 16 bytes long.
 Data: <&#248;Y?y&#247;           > F8 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F7793F6720, 16 bytes long.
 Data: <&#208;Y?y&#247;           > D0 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F7793EFBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F7793F6A90, 16 bytes long.
 Data: <&#168;Y?y&#247;           > A8 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F7793F5EB0, 16 bytes long.
 Data: < Y?y&#247;           > 80 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F7793F5CD0, 16 bytes long.
 Data: <XY?y&#247;           > 58 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F7793F5F50, 16 bytes long.
 Data: <0Y?y&#247;           > 30 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F7793F48F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F7793F5FA0, 16 bytes long.
 Data: < T?y&#247;           > 08 54 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F7793EFA40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F7793F6590, 16 bytes long.
 Data: <&#224;S?y&#247;           > E0 53 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F7793F6950, 16 bytes long.
 Data: <&#184;S?y&#247;           > B8 53 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F7793F5D70, 16 bytes long.
 Data: < S?y&#247;           > 90 53 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F7793F6040, 16 bytes long.
 Data: <hS?y&#247;           > 68 53 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F7793F5DC0, 16 bytes long.
 Data: <@S?y&#247;           > 40 53 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F7793F5C30, 16 bytes long.
 Data: < S?y&#247;           > 18 53 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F7793F0640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F7793F5E60, 16 bytes long.
 Data: <&#240;R?y&#247;           > F0 52 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F7793F52F0, 320 bytes long.
 Data: <`^?y&#247;   @ ?y&#247;   > 60 5E 3F 79 F7 01 00 00 40 06 3F 79 F7 01 00 00 
{276} normal block at 0x000001F7793F64A0, 16 bytes long.
 Data: < Y?y&#247;           > 10 59 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F7793F6130, 16 bytes long.
 Data: <&#232;X?y&#247;           > E8 58 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F7793EFB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F7793F5D20, 16 bytes long.
 Data: <&#192;X?y&#247;           > C0 58 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F7793F01C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F7793F60E0, 16 bytes long.
 Data: < X?y&#247;           > 08 58 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F7793F6400, 16 bytes long.
 Data: <&#224;W?y&#247;           > E0 57 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F7793F5E10, 16 bytes long.
 Data: <&#184;W?y&#247;           > B8 57 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F7793F5C80, 16 bytes long.
 Data: < W?y&#247;           > 90 57 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F7793F5BE0, 16 bytes long.
 Data: <hW?y&#247;           > 68 57 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F7793F1030, 16 bytes long.
 Data: <@W?y&#247;           > 40 57 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F7793F0D60, 16 bytes long.
 Data: <&#192;M?y&#247;           > C0 4D 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F7793F4DC0, 40 bytes long.
 Data: <` ?y&#247;   &#240;`%{&#247;   > 60 0D 3F 79 F7 01 00 00 F0 60 25 7B F7 01 00 00 
{262} normal block at 0x000001F7793F0CC0, 16 bytes long.
 Data: < W?y&#247;           > 20 57 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F7793F0810, 16 bytes long.
 Data: <&#248;V?y&#247;           > F8 56 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F7793EF9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F7793F0FE0, 16 bytes long.
 Data: <&#208;V?y&#247;           > D0 56 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F7793F56D0, 992 bytes long.
 Data: <&#224; ?y&#247;   &#224;&#249;>y&#247;   > E0 0F 3F 79 F7 01 00 00 E0 F9 3E 79 F7 01 00 00 
{94} normal block at 0x000001F7793F0160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F7793F0860, 16 bytes long.
 Data: <PM?y&#247;           > 50 4D 3F 79 F7 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F7793F4D50, 40 bytes long.
 Data: <` ?y&#247;   ` ?y&#247;   > 60 08 3F 79 F7 01 00 00 60 01 3F 79 F7 01 00 00 
{71} normal block at 0x000001F7793F09A0, 16 bytes long.
 Data: < &#234;A@&#247;           > 80 EA 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F7793F0BD0, 16 bytes long.
 Data: <@&#233;A@&#247;           > 40 E9 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F7793F0B80, 16 bytes long.
 Data: <&#248;W>@&#247;           > F8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F7793F0C20, 16 bytes long.
 Data: <&#216;W>@&#247;           > D8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F7793F09F0, 16 bytes long.
 Data: <P >@&#247;           > 50 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F7793F0B30, 16 bytes long.
 Data: <0 >@&#247;           > 30 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F7793F0950, 16 bytes long.
 Data: <&#224; >@&#247;           > E0 02 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F7793F1710, 16 bytes long.
 Data: <  >@&#247;           > 10 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F7793F13A0, 16 bytes long.
 Data: <p >@&#247;           > 70 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F7793F1210, 16 bytes long.
 Data: < &#192;<@&#247;           > 18 C0 3C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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