Task 38686280

Name test_377-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4920_1
Workunit 31627655
Created 28 Oct 2026, 1:40:50 UTC
Sent 28 Oct 2026, 1:40:58 UTC
Report deadline 2 Nov 2026, 1:40:58 UTC
Received 28 Oct 2026, 2:54:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 20 min 7 sec
CPU time 19 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.64 MB
Peak swap size 9.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:35:09 (64500): wrapper (7.9.26016): starting
21:35:09 (64500): 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
21:35:10 (64500): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:35:10 (64500): 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
21:54:28 (64500): C:/Windows/system32/cmd.exe exited; CPU time 1152.046875
21:54:28 (64500): 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: 29567637 bytes.
Dumping objects ->
{3835236} normal block at 0x0000021B71010C30, 48 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 0x0000021B71011560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000021B71010A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000021B710111E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000021B71010990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000021B7111C5B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000021B7112F190, 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) : {3835147} normal block at 0x0000021B6F4EDDD0, 8 bytes long.
 Data: <  Ho    > 00 00 48 6F 1B 02 00 00 
{3834547} normal block at 0x0000021B7112F3A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000021B6F4EE050, 8 bytes long.
 Data: <&#160;&#232;\o    > A0 E8 5C 6F 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021B6F4F2B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021B6F4E3C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000021B6F4F6F30, 16 bytes long.
 Data: <hsOo            > 68 73 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021B6F4F6C60, 16 bytes long.
 Data: <@sOo            > 40 73 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021B6F4F04A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000021B6F4F6EE0, 16 bytes long.
 Data: < sOo            > 18 73 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021B6F4F6530, 16 bytes long.
 Data: <&#240;rOo            > F0 72 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021B6F4F6DF0, 16 bytes long.
 Data: <&#200;rOo            > C8 72 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021B6F4F6670, 16 bytes long.
 Data: <&#160;rOo            > A0 72 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021B6F4F0910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000021B6F4F6B20, 16 bytes long.
 Data: <&#184;&#247;No            > B8 F7 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021B6F4F0080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000021B6F4F6170, 16 bytes long.
 Data: < &#247;No            > 90 F7 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B6F4F6800, 16 bytes long.
 Data: <h&#247;No            > 68 F7 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021B6F4F6A80, 16 bytes long.
 Data: <@&#247;No            > 40 F7 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B6F4F6E40, 16 bytes long.
 Data: < &#247;No            > 18 F7 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B6F4F6490, 16 bytes long.
 Data: <&#240;&#246;No            > F0 F6 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021B6F4F6120, 16 bytes long.
 Data: <&#200;&#246;No            > C8 F6 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021B6F4EFA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000021B6F4F6DA0, 16 bytes long.
 Data: <&#160;&#246;No            > A0 F6 4E 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B6F4EF6A0, 320 bytes long.
 Data: <&#160;mOo     &#250;No    > A0 6D 4F 6F 1B 02 00 00 20 FA 4E 6F 1B 02 00 00 
{280} normal block at 0x0000021B6F4F6E90, 16 bytes long.
 Data: < rOo            > 80 72 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021B6F4F6940, 16 bytes long.
 Data: <XrOo            > 58 72 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B6F4F02C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000021B6F4F6440, 16 bytes long.
 Data: <0rOo            > 30 72 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021B6F4EFF60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000021B6F4F60D0, 16 bytes long.
 Data: <xqOo            > 78 71 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B6F4F63F0, 16 bytes long.
 Data: <PqOo            > 50 71 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B6F4F6AD0, 16 bytes long.
 Data: <(qOo            > 28 71 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021B6F4F6580, 16 bytes long.
 Data: < qOo            > 00 71 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B6F4F64E0, 16 bytes long.
 Data: <&#216;pOo            > D8 70 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021B6F4F63A0, 16 bytes long.
 Data: <&#176;pOo            > B0 70 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B6F4F6350, 16 bytes long.
 Data: <P Oo            > 50 0E 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021B6F4F0E50, 40 bytes long.
 Data: <PcOo    &#176;&#197; q    > 50 63 4F 6F 1B 02 00 00 B0 C5 11 71 1B 02 00 00 
{266} normal block at 0x0000021B6F4F6FD0, 16 bytes long.
 Data: < pOo            > 90 70 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021B6F4F68F0, 16 bytes long.
 Data: <hpOo            > 68 70 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B6F4EFC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000021B6F4F6620, 16 bytes long.
 Data: <@pOo            > 40 70 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B6F4F7040, 992 bytes long.
 Data: < fOo     &#252;No    > 20 66 4F 6F 1B 02 00 00 00 FC 4E 6F 1B 02 00 00 
{98} normal block at 0x0000021B6F4F0020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000021B6F4EE230, 16 bytes long.
 Data: <&#224; Oo            > E0 0D 4F 6F 1B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000021B6F4F0DE0, 40 bytes long.
 Data: <0&#226;No      Oo    > 30 E2 4E 6F 1B 02 00 00 20 00 4F 6F 1B 02 00 00 
{75} normal block at 0x0000021B6F4EE5F0, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021B6F4EE820, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021B6F4EDE20, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021B6F4EE730, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021B6F4EE5A0, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021B6F4EDA60, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021B6F4EDF60, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021B6F4EDAB0, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021B6F4EE4B0, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021B6F4EE460, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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