Task 38678330

Name test_1188-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8290_1
Workunit 31602611
Created 26 Oct 2026, 17:03:52 UTC
Sent 26 Oct 2026, 17:04:03 UTC
Report deadline 31 Oct 2026, 17:04:03 UTC
Received 26 Oct 2026, 19:33:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 30 min 53 sec
CPU time 24 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.54 MB
Peak swap size 9.95 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:05:58 (8184): wrapper (7.9.26016): starting
04:05:58 (8184): 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
04:06:00 (8184): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:06:00 (8184): 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 'D:\BOINC\slots\18\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 'D:\BOINC\slots\18\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
04:30:46 (8184): C:/Windows/system32/cmd.exe exited; CPU time 1475.687500
04:30:46 (8184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 28877391 bytes.
Dumping objects ->
{3835578} normal block at 0x0000018117855450, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x0000018119930B60, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x00000181199301A0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x00000181199303E0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x0000018119930140, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x0000018117855140, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x00000181178AD020, 140 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) : {3835489} normal block at 0x000001811784EBC0, 8 bytes long.
 Data: <        > 00 00 82 17 81 01 00 00 
{3834767} normal block at 0x00000181178AE6E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000001811784EEE0, 8 bytes long.
 Data: <`K      > 60 4B 85 17 81 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018117846A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018117848640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000018117856CD0, 16 bytes long.
 Data: <&#216;s              > D8 73 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018117856320, 16 bytes long.
 Data: <&#176;s              > B0 73 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018117850B70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000018117856F00, 16 bytes long.
 Data: < s              > 88 73 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018117856EB0, 16 bytes long.
 Data: <`s              > 60 73 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000181178566E0, 16 bytes long.
 Data: <8s              > 38 73 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018117856E60, 16 bytes long.
 Data: < s              > 10 73 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000181178556F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000181178562D0, 16 bytes long.
 Data: <&#216;&#190;              > D8 BE 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018117850C30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000018117856E10, 16 bytes long.
 Data: <&#176;&#190;              > B0 BE 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018117856F50, 16 bytes long.
 Data: < &#190;              > 88 BE 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018117856870, 16 bytes long.
 Data: <`&#190;              > 60 BE 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000181178565A0, 16 bytes long.
 Data: <8&#190;              > 38 BE 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018117856BE0, 16 bytes long.
 Data: < &#190;              > 10 BE 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018117856B90, 16 bytes long.
 Data: < &#189;              > E8 BD 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018117850F30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000018117856280, 16 bytes long.
 Data: <&#192;&#189;              > C0 BD 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001811783BDC0, 320 bytes long.
 Data: < b      0       > 80 62 85 17 81 01 00 00 30 0F 85 17 81 01 00 00 
{279} normal block at 0x0000018117856B40, 16 bytes long.
 Data: < r              > F0 72 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018117856D70, 16 bytes long.
 Data: <&#200;r              > C8 72 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000181178517D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000181178568C0, 16 bytes long.
 Data: < r              > A0 72 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018117851710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000018117856500, 16 bytes long.
 Data: < q              > E8 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000181178564B0, 16 bytes long.
 Data: <&#192;q              > C0 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018117856230, 16 bytes long.
 Data: < q              > 98 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018117856FF0, 16 bytes long.
 Data: <pq              > 70 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018117856410, 16 bytes long.
 Data: <Hq              > 48 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018117856640, 16 bytes long.
 Data: < q              > 20 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000181178563C0, 16 bytes long.
 Data: <&#192;T              > C0 54 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000181178554C0, 40 bytes long.
 Data: <&#192;c      @Q      > C0 63 85 17 81 01 00 00 40 51 85 17 81 01 00 00 
{265} normal block at 0x0000018117856460, 16 bytes long.
 Data: < q              > 00 71 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018117856550, 16 bytes long.
 Data: <&#216;p              > D8 70 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018117850B10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000018117856DC0, 16 bytes long.
 Data: <&#176;p              > B0 70 85 17 81 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000181178570B0, 992 bytes long.
 Data: <&#192;m              > C0 6D 85 17 81 01 00 00 10 0B 85 17 81 01 00 00 
{97} normal block at 0x0000018117850DB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001811784EE90, 16 bytes long.
 Data: <P&#203;              > 50 CB 83 17 81 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001811783CB50, 40 bytes long.
 Data: <        &#176;       > 90 EE 84 17 81 01 00 00 B0 0D 85 17 81 01 00 00 
{72} normal block at 0x000001811784F2F0, 16 bytes long.
 Data: <   &#215;            > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001811784ED50, 16 bytes long.
 Data: <@  &#215;            > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001811784F5C0, 16 bytes long.
 Data: < W &#215;            > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001811784F070, 16 bytes long.
 Data: <&#216;W &#215;            > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001811784F020, 16 bytes long.
 Data: <P  &#215;            > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001811784F890, 16 bytes long.
 Data: <0  &#215;            > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001811784EA80, 16 bytes long.
 Data: <   &#215;            > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001811784EF30, 16 bytes long.
 Data: <   &#215;            > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001811784F340, 16 bytes long.
 Data: <p  &#215;            > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001811784F7A0, 16 bytes long.
 Data: < &#192; &#215;            > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra