Task 38697735

Name test_614-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2282_0
Workunit 31638290
Created 1 Nov 2026, 20:26:43 UTC
Sent 1 Nov 2026, 20:26:48 UTC
Report deadline 6 Nov 2026, 20:26:48 UTC
Received 1 Nov 2026, 22:57:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604442
Run time 59 min 36 sec
CPU time 59 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,852.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.89 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:58:00 (7656): wrapper (7.9.26016): starting
15:58:00 (7656): 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
15:58:01 (7656): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:58:01 (7656): 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\1\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\1\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
16:57:10 (7656): C:/Windows/system32/cmd.exe exited; CPU time 3569.015625
16:57:10 (7656): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 57485944 bytes.
Dumping objects ->
{3835452} normal block at 0x000002370230AC30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835441} normal block at 0x000002370230A990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x00000237022E4CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835419} normal block at 0x00000237022E4AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835408} normal block at 0x00000237022E4A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835377} normal block at 0x0000023703FC8B00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835366} normal block at 0x0000023703FDC6A0, 85 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) : {3835363} normal block at 0x00000237022DF520, 8 bytes long.
 Data: <  ~ 7   > 00 00 7E 02 37 02 00 00 
{3834668} normal block at 0x0000023703FDBAC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000237022DF340, 8 bytes long.
 Data: <&#160;;  7   > A0 3B 02 04 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000237022E11D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000237022D6910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000237022E53A0, 16 bytes long.
 Data: <&#232;e. 7           > E8 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000237022E5E90, 16 bytes long.
 Data: <&#192;e. 7           > C0 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000237022E0180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000237022E55D0, 16 bytes long.
 Data: < e. 7           > 98 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000237022E5990, 16 bytes long.
 Data: <pe. 7           > 70 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000237022E6250, 16 bytes long.
 Data: <He. 7           > 48 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000237022E60C0, 16 bytes long.
 Data: < e. 7           > 20 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000237022E4840, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000237022E5E40, 16 bytes long.
 Data: <&#216;&#243;, 7           > D8 F3 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000237022E00C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000237022E5DF0, 16 bytes long.
 Data: <&#176;&#243;, 7           > B0 F3 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000237022E59E0, 16 bytes long.
 Data: < &#243;, 7           > 88 F3 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000237022E5DA0, 16 bytes long.
 Data: <`&#243;, 7           > 60 F3 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000237022E5350, 16 bytes long.
 Data: <8&#243;, 7           > 38 F3 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000237022E5D50, 16 bytes long.
 Data: < &#243;, 7           > 10 F3 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000237022E5BC0, 16 bytes long.
 Data: <&#232;&#242;, 7           > E8 F2 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000237022DFA60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000237022E57B0, 16 bytes long.
 Data: <&#192;&#242;, 7           > C0 F2 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000237022CF2C0, 320 bytes long.
 Data: <&#176;W. 7   `&#250;- 7   > B0 57 2E 02 37 02 00 00 60 FA 2D 02 37 02 00 00 
{275} normal block at 0x00000237022E6200, 16 bytes long.
 Data: < e. 7           > 00 65 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000237022E6070, 16 bytes long.
 Data: <&#216;d. 7           > D8 64 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000237022DFAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000237022E5C10, 16 bytes long.
 Data: <&#176;d. 7           > B0 64 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000237022E0060, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000237022E5940, 16 bytes long.
 Data: <&#248;c. 7           > F8 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000237022E5760, 16 bytes long.
 Data: <&#208;c. 7           > D0 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000237022E53F0, 16 bytes long.
 Data: <&#168;c. 7           > A8 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000237022E5FD0, 16 bytes long.
 Data: < c. 7           > 80 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000237022E5710, 16 bytes long.
 Data: <Xc. 7           > 58 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000237022E5F80, 16 bytes long.
 Data: <0c. 7           > 30 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000237022E5850, 16 bytes long.
 Data: < M. 7           > 80 4D 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000237022E4D80, 40 bytes long.
 Data: <PX. 7    &#139;&#252; 7   > 50 58 2E 02 37 02 00 00 00 8B FC 03 37 02 00 00 
{261} normal block at 0x00000237022E5C60, 16 bytes long.
 Data: < c. 7           > 10 63 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000237022E5EE0, 16 bytes long.
 Data: <&#232;b. 7           > E8 62 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000237022E0000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000237022E5D00, 16 bytes long.
 Data: <&#192;b. 7           > C0 62 2E 02 37 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000237022E62C0, 992 bytes long.
 Data: < ]. 7     . 7   > 00 5D 2E 02 37 02 00 00 00 00 2E 02 37 02 00 00 
{93} normal block at 0x00000237022DFDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000237022DE8F0, 16 bytes long.
 Data: <p&#212;, 7           > 70 D4 2C 02 37 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000237022CD470, 40 bytes long.
 Data: <&#240;&#232;- 7   &#192;&#253;- 7   > F0 E8 2D 02 37 02 00 00 C0 FD 2D 02 37 02 00 00 
{70} normal block at 0x00000237022DF3E0, 16 bytes long.
 Data: < &#234; &#189;&#246;           > 80 EA 0E BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000237022DF700, 16 bytes long.
 Data: <@&#233; &#189;&#246;           > 40 E9 0E BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000237022DF4D0, 16 bytes long.
 Data: <&#248;W &#189;&#246;           > F8 57 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000237022DF2F0, 16 bytes long.
 Data: <&#216;W &#189;&#246;           > D8 57 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000237022DF6B0, 16 bytes long.
 Data: <P  &#189;&#246;           > 50 04 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000237022DF660, 16 bytes long.
 Data: <0  &#189;&#246;           > 30 04 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000237022DEBC0, 16 bytes long.
 Data: <&#224;  &#189;&#246;           > E0 02 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000237022DF2A0, 16 bytes long.
 Data: <   &#189;&#246;           > 10 04 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000237022DF070, 16 bytes long.
 Data: <p  &#189;&#246;           > 70 04 0B BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000237022DF200, 16 bytes long.
 Data: < &#192;	&#189;&#246;           > 18 C0 09 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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