Task 38688883

Name test_30-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0637_0
Workunit 31630180
Created 28 Oct 2026, 16:40:13 UTC
Sent 28 Oct 2026, 16:40:19 UTC
Report deadline 2 Nov 2026, 16:40:19 UTC
Received 28 Oct 2026, 17:54:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 19 min 8 sec
CPU time 18 min 13 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 742.57 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:35:19 (13692): wrapper (7.9.26016): starting
12:35:19 (13692): 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
12:35:20 (13692): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:35:20 (13692): 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
12:53:40 (13692): C:/Windows/system32/cmd.exe exited; CPU time 1093.250000
12:53:40 (13692): 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: 28055729 bytes.
Dumping objects ->
{3835236} normal block at 0x000002056BA90A00, 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 0x000002056BA90C30, 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 0x000002056BA914F0, 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 0x000002056BA90D80, 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 0x000002056BA908B0, 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 0x000002056BB8C1C0, 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 0x000002056BB9F3A0, 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 0x0000020569CAD990, 8 bytes long.
 Data: <   j    > 00 00 1D 6A 05 02 00 00 
{3834547} normal block at 0x000002056BB9FC90, 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 0x0000020569CADDF0, 8 bytes long.
 Data: <&#208;F&#193;k    > D0 46 C1 6B 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020569CB2950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020569CA2F70, 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 0x0000020569CB65A0, 16 bytes long.
 Data: <Xq&#203;i            > 58 71 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020569CB6870, 16 bytes long.
 Data: <0q&#203;i            > 30 71 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020569CAFF90, 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 0x0000020569CB6C80, 16 bytes long.
 Data: < q&#203;i            > 08 71 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020569CB6CD0, 16 bytes long.
 Data: <&#224;p&#203;i            > E0 70 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020569CB6550, 16 bytes long.
 Data: <&#184;p&#203;i            > B8 70 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020569CB67D0, 16 bytes long.
 Data: < p&#203;i            > 90 70 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020569CB0850, 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 0x0000020569CB60F0, 16 bytes long.
 Data: <&#168;&#245;&#202;i            > A8 F5 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020569CAFA50, 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 0x0000020569CB64B0, 16 bytes long.
 Data: < &#245;&#202;i            > 80 F5 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020569CB6BE0, 16 bytes long.
 Data: <X&#245;&#202;i            > 58 F5 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020569CB6500, 16 bytes long.
 Data: <0&#245;&#202;i            > 30 F5 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020569CB6460, 16 bytes long.
 Data: < &#245;&#202;i            > 08 F5 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020569CB6190, 16 bytes long.
 Data: <&#224;&#244;&#202;i            > E0 F4 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020569CB65F0, 16 bytes long.
 Data: <&#184;&#244;&#202;i            > B8 F4 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020569CAF990, 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 0x0000020569CB6410, 16 bytes long.
 Data: < &#244;&#202;i            > 90 F4 CA 69 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020569CAF490, 320 bytes long.
 Data: < d&#203;i     &#249;&#202;i    > 10 64 CB 69 05 02 00 00 90 F9 CA 69 05 02 00 00 
{280} normal block at 0x0000020569CB6910, 16 bytes long.
 Data: <pp&#203;i            > 70 70 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020569CB6370, 16 bytes long.
 Data: <Hp&#203;i            > 48 70 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020569CAF930, 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 0x0000020569CB6A00, 16 bytes long.
 Data: < p&#203;i            > 20 70 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020569CB0410, 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 0x0000020569CB5FB0, 16 bytes long.
 Data: <ho&#203;i            > 68 6F CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020569CB5F60, 16 bytes long.
 Data: <@o&#203;i            > 40 6F CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020569CB6D20, 16 bytes long.
 Data: < o&#203;i            > 18 6F CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020569CB62D0, 16 bytes long.
 Data: <&#240;n&#203;i            > F0 6E CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020569CB6280, 16 bytes long.
 Data: <&#200;n&#203;i            > C8 6E CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020569CB6C30, 16 bytes long.
 Data: <&#160;n&#203;i            > A0 6E CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020569CB6140, 16 bytes long.
 Data: <&#224; &#203;i            > E0 07 CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020569CB07E0, 40 bytes long.
 Data: <@a&#203;i    &#192;&#193;&#184;k    > 40 61 CB 69 05 02 00 00 C0 C1 B8 6B 05 02 00 00 
{266} normal block at 0x0000020569CB6000, 16 bytes long.
 Data: < n&#203;i            > 80 6E CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020569CB63C0, 16 bytes long.
 Data: <Xn&#203;i            > 58 6E CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020569CB0470, 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 0x0000020569CB6DC0, 16 bytes long.
 Data: <0n&#203;i            > 30 6E CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020569CB6E30, 992 bytes long.
 Data: <&#192;m&#203;i    p &#203;i    > C0 6D CB 69 05 02 00 00 70 04 CB 69 05 02 00 00 
{98} normal block at 0x0000020569CAF8D0, 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 0x0000020569CADD50, 16 bytes long.
 Data: <&#208; &#203;i            > D0 0B CB 69 05 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020569CB0BD0, 40 bytes long.
 Data: <P&#221;&#202;i    &#208;&#248;&#202;i    > 50 DD CA 69 05 02 00 00 D0 F8 CA 69 05 02 00 00 
{75} normal block at 0x0000020569CADDA0, 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 0x0000020569CAE200, 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 0x0000020569CADF80, 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 0x0000020569CAE520, 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 0x0000020569CAE4D0, 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 0x0000020569CADCB0, 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 0x0000020569CAD7B0, 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 0x0000020569CAD850, 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 0x0000020569CAE430, 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 0x0000020569CAE3E0, 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>
]]>


©2026 Universitat Pompeu Fabra