Task 38661619

Name test_1449-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4796_1
Workunit 31602980
Created 24 Oct 2026, 16:02:56 UTC
Sent 24 Oct 2026, 17:26:01 UTC
Report deadline 29 Oct 2026, 17:26:01 UTC
Received 24 Oct 2026, 18:19:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 51 min 9 sec
CPU time 51 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.68 MB
Peak swap size 18.92 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
19:32:47 (4024): wrapper (7.9.26016): starting
19:32:47 (4024): 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
19:32:49 (4024): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:32:49 (4024): 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\183\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\183\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
20:18:31 (4024): C:/Windows/system32/cmd.exe exited; CPU time 3069.031250
20:18:31 (4024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 75071191 bytes.
Dumping objects ->
{3835226} normal block at 0x0000024C34529840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000024C345293E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000024C34529DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x0000024C34529BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000024C345291B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x0000024C362E0DA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000024C36260AD0, 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) : {3835137} normal block at 0x0000024C34503260, 8 bytes long.
 Data: <  I4L   > 00 00 49 34 4C 02 00 00 
{3834534} normal block at 0x0000024C362605F0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000024C345033A0, 8 bytes long.
 Data: <0B&6L   > 30 42 26 36 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000024C344EBDF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C344ED6A0, 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 0x0000024C34502E00, 16 bytes long.
 Data: < oP4L           > 08 6F 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024C34502DB0, 16 bytes long.
 Data: <&#224;nP4L           > E0 6E 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024C344F9500, 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 0x0000024C34503C60, 16 bytes long.
 Data: <&#184;nP4L           > B8 6E 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024C345038F0, 16 bytes long.
 Data: < nP4L           > 90 6E 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024C345038A0, 16 bytes long.
 Data: <hnP4L           > 68 6E 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C345034E0, 16 bytes long.
 Data: <@nP4L           > 40 6E 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C345016F0, 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 0x0000024C34503760, 16 bytes long.
 Data: <8&#214;N4L           > 38 D6 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C344F9440, 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 0x0000024C34503C10, 16 bytes long.
 Data: < &#214;N4L           > 10 D6 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024C34502F40, 16 bytes long.
 Data: <&#232;&#213;N4L           > E8 D5 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024C34503170, 16 bytes long.
 Data: <&#192;&#213;N4L           > C0 D5 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C34503120, 16 bytes long.
 Data: < &#213;N4L           > 98 D5 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024C34503670, 16 bytes long.
 Data: <p&#213;N4L           > 70 D5 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C34503620, 16 bytes long.
 Data: <H&#213;N4L           > 48 D5 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024C344F93E0, 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 0x0000024C34503BC0, 16 bytes long.
 Data: < &#213;N4L           > 20 D5 4E 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C344ED520, 320 bytes long.
 Data: <&#192;;P4L   &#224;&#147;O4L   > C0 3B 50 34 4C 02 00 00 E0 93 4F 34 4C 02 00 00 
{270} normal block at 0x0000024C34503350, 16 bytes long.
 Data: < nP4L           > 20 6E 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C34503850, 16 bytes long.
 Data: <&#248;mP4L           > F8 6D 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C344F92C0, 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 0x0000024C34503490, 16 bytes long.
 Data: <&#208;mP4L           > D0 6D 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024C344F9C80, 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 0x0000024C34503210, 16 bytes long.
 Data: < mP4L           > 18 6D 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024C34502FE0, 16 bytes long.
 Data: <&#240;lP4L           > F0 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024C345035D0, 16 bytes long.
 Data: <&#200;lP4L           > C8 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024C345039E0, 16 bytes long.
 Data: <&#160;lP4L           > A0 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024C34503580, 16 bytes long.
 Data: <xlP4L           > 78 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024C345030D0, 16 bytes long.
 Data: <PlP4L           > 50 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024C34503B70, 16 bytes long.
 Data: <&#192; P4L           > C0 14 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024C345014C0, 40 bytes long.
 Data: <p;P4L   &#160; .6L   > 70 3B 50 34 4C 02 00 00 A0 0D 2E 36 4C 02 00 00 
{256} normal block at 0x0000024C34503B20, 16 bytes long.
 Data: <0lP4L           > 30 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024C345033F0, 16 bytes long.
 Data: < lP4L           > 08 6C 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024C344F9260, 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 0x0000024C34503940, 16 bytes long.
 Data: <&#224;kP4L           > E0 6B 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024C34506BE0, 992 bytes long.
 Data: <@9P4L   `&#146;O4L   > 40 39 50 34 4C 02 00 00 60 92 4F 34 4C 02 00 00 
{88} normal block at 0x0000024C344F9320, 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 0x0000024C34503030, 16 bytes long.
 Data: <  P4L           > 80 16 50 34 4C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000024C34501680, 40 bytes long.
 Data: <00P4L    &#147;O4L   > 30 30 50 34 4C 02 00 00 20 93 4F 34 4C 02 00 00 
{65} normal block at 0x0000024C34503300, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C344F7AD0, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024C344F7A30, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024C344F79E0, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024C344F7A80, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024C344F78A0, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024C344F7850, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024C344F7440, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024C344F74E0, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024C344F7300, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra