Task 38686678

Name test_479-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8676_0
Workunit 31628100
Created 28 Oct 2026, 3:51:45 UTC
Sent 28 Oct 2026, 3:51:49 UTC
Report deadline 2 Nov 2026, 3:51:49 UTC
Received 28 Oct 2026, 4:52:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 59 min 58 sec
CPU time 55 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.49 MB
Peak swap size 11.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:54:16 (17324): wrapper (7.9.26016): starting
04:54:16 (17324): 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
04:54:19 (17324): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:54:19 (17324): 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\28\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\28\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
05:52:07 (17324): C:/Windows/system32/cmd.exe exited; CPU time 3305.578125
05:52:07 (17324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 47825179 bytes.
Dumping objects ->
{3835220} normal block at 0x00000163F3C16DC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000163F3C16F10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000163F3C170D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x00000163F3C17060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x00000163F3C16730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x00000163F58152B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835132} normal block at 0x00000163F3BE8530, 8 bytes long.
 Data: <  &#186;&#243;c   > 00 00 BA F3 63 01 00 00 
{3833949} normal block at 0x00000163F3BE8F80, 8 bytes long.
 Data: <&#208; &#135;&#245;c   > D0 17 87 F5 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000163F3BF1F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000163F3BDB7B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000163F3BF3610, 16 bytes long.
 Data: <&#232;A&#191;&#243;c           > E8 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000163F3BF35C0, 16 bytes long.
 Data: <&#192;A&#191;&#243;c           > C0 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000163F3BEE430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000163F3BF3930, 16 bytes long.
 Data: < A&#191;&#243;c           > 98 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000163F3BF3200, 16 bytes long.
 Data: <pA&#191;&#243;c           > 70 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000163F3BF30C0, 16 bytes long.
 Data: <HA&#191;&#243;c           > 48 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000163F3BF34D0, 16 bytes long.
 Data: < A&#191;&#243;c           > 20 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000163F3BECE80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000163F3BF2D50, 16 bytes long.
 Data: < \&#189;&#243;c           > 08 5C BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000163F3BEECD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000163F3BF2DA0, 16 bytes long.
 Data: <&#224;[&#189;&#243;c           > E0 5B BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000163F3BF3390, 16 bytes long.
 Data: <&#184;[&#189;&#243;c           > B8 5B BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000163F3BF3CA0, 16 bytes long.
 Data: < [&#189;&#243;c           > 90 5B BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000163F3BF32A0, 16 bytes long.
 Data: <h[&#189;&#243;c           > 68 5B BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000163F3BF3840, 16 bytes long.
 Data: <@[&#189;&#243;c           > 40 5B BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000163F3BF3340, 16 bytes long.
 Data: < [&#189;&#243;c           > 18 5B BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000163F3BEE3D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000163F3BF3250, 16 bytes long.
 Data: <&#240;Z&#189;&#243;c           > F0 5A BD F3 63 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000163F3BD5AF0, 320 bytes long.
 Data: <P2&#191;&#243;c   &#208;&#227;&#190;&#243;c   > 50 32 BF F3 63 01 00 00 D0 E3 BE F3 63 01 00 00 
{270} normal block at 0x00000163F3BF3AC0, 16 bytes long.
 Data: < A&#191;&#243;c           > 00 41 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000163F3BF3160, 16 bytes long.
 Data: <&#216;@&#191;&#243;c           > D8 40 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000163F3BEED30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000163F3BF37F0, 16 bytes long.
 Data: <&#176;@&#191;&#243;c           > B0 40 BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000163F3BEEC70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000163F3BF3480, 16 bytes long.
 Data: <&#248;?&#191;&#243;c           > F8 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000163F3BF2F80, 16 bytes long.
 Data: <&#208;?&#191;&#243;c           > D0 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000163F3BF3B60, 16 bytes long.
 Data: <&#168;?&#191;&#243;c           > A8 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000163F3BF2FD0, 16 bytes long.
 Data: < ?&#191;&#243;c           > 80 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000163F3BF3020, 16 bytes long.
 Data: <X?&#191;&#243;c           > 58 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000163F3BF37A0, 16 bytes long.
 Data: <0?&#191;&#243;c           > 30 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000163F3BF3430, 16 bytes long.
 Data: < &#209;&#190;&#243;c           > 90 D1 BE F3 63 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000163F3BED190, 40 bytes long.
 Data: <04&#191;&#243;c   &#176;R &#245;c   > 30 34 BF F3 63 01 00 00 B0 52 81 F5 63 01 00 00 
{256} normal block at 0x00000163F3BF3520, 16 bytes long.
 Data: < ?&#191;&#243;c           > 10 3F BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000163F3BF3750, 16 bytes long.
 Data: <&#232;>&#191;&#243;c           > E8 3E BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000163F3BEEFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000163F3BF3A70, 16 bytes long.
 Data: <&#192;>&#191;&#243;c           > C0 3E BF F3 63 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000163F3BF3EC0, 992 bytes long.
 Data: <p:&#191;&#243;c   &#208;&#239;&#190;&#243;c   > 70 3A BF F3 63 01 00 00 D0 EF BE F3 63 01 00 00 
{88} normal block at 0x00000163F3BEE7F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000163F3BE8C10, 16 bytes long.
 Data: <&#160;&#205;&#190;&#243;c           > A0 CD BE F3 63 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000163F3BECDA0, 40 bytes long.
 Data: < &#140;&#190;&#243;c   &#240;&#231;&#190;&#243;c   > 10 8C BE F3 63 01 00 00 F0 E7 BE F3 63 01 00 00 
{65} normal block at 0x00000163F3BE8B20, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000163F3BE8AD0, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000163F3BE8A30, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000163F3BE8210, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000163F3BE8710, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000163F3BE8EE0, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000163F3BE81C0, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000163F3BE8800, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000163F3BE87B0, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000163F3BE8440, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra