Task 38663440

Name test_943-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND4540_0
Workunit 31606647
Created 24 Oct 2026, 21:59:51 UTC
Sent 24 Oct 2026, 21:59:59 UTC
Report deadline 29 Oct 2026, 21:59:59 UTC
Received 24 Oct 2026, 22:55:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 49 min 1 sec
CPU time 36 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.89 MB
Peak swap size 2.36 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:07:25 (5060): wrapper (7.9.26016): starting
00:07:25 (5060): 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
00:07:27 (5060): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:07:27 (5060): 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
00:54:46 (5060): C:/Windows/system32/cmd.exe exited; CPU time 2193.984375
00:54:46 (5060): 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: 30986491 bytes.
Dumping objects ->
{3835271} normal block at 0x000001436C22CE60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001436C22D9C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x000001436C1D45B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x000001436C1D4540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001436C1D4C40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x000001436DE17850, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001436DE2E890, 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) : {3835182} normal block at 0x000001436C1CED80, 8 bytes long.
 Data: <  wlC   > 00 00 77 6C 43 01 00 00 
{3834562} normal block at 0x000001436DE2ECB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001436C1CEEC0, 8 bytes long.
 Data: <0D&#231;mC   > 30 44 E7 6D 43 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001436C1D0B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001436C1C6540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001436C1D58D0, 16 bytes long.
 Data: <8d lC           > 38 64 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001436C1D5880, 16 bytes long.
 Data: < d lC           > 10 64 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001436C1D0270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001436C1D60A0, 16 bytes long.
 Data: <&#232;c lC           > E8 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001436C1D56F0, 16 bytes long.
 Data: <&#192;c lC           > C0 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001436C1D5290, 16 bytes long.
 Data: < c lC           > 98 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001436C1D5600, 16 bytes long.
 Data: <pc lC           > 70 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001436C1D49A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001436C1D5D80, 16 bytes long.
 Data: <H&#180; lC           > 48 B4 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001436C1CF8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001436C1D52E0, 16 bytes long.
 Data: < &#180; lC           > 20 B4 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001436C1D5380, 16 bytes long.
 Data: <&#248;&#179; lC           > F8 B3 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001436C1D5830, 16 bytes long.
 Data: <&#208;&#179; lC           > D0 B3 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001436C1D51F0, 16 bytes long.
 Data: <&#168;&#179; lC           > A8 B3 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001436C1D5F60, 16 bytes long.
 Data: < &#179; lC           > 80 B3 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001436C1D5E70, 16 bytes long.
 Data: <X&#179; lC           > 58 B3 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001436C1CFB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001436C1D51A0, 16 bytes long.
 Data: <0&#179; lC           > 30 B3 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001436C1BB330, 320 bytes long.
 Data: <&#160;Q lC   P&#251; lC   > A0 51 1D 6C 43 01 00 00 50 FB 1C 6C 43 01 00 00 
{274} normal block at 0x000001436C1D5D30, 16 bytes long.
 Data: <Pc lC           > 50 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001436C1D5240, 16 bytes long.
 Data: <(c lC           > 28 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001436C1CFBB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001436C1D5510, 16 bytes long.
 Data: < c lC           > 00 63 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001436C1CFD90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001436C1D5650, 16 bytes long.
 Data: <Hb lC           > 48 62 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001436C1D57E0, 16 bytes long.
 Data: < b lC           > 20 62 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001436C1D5AB0, 16 bytes long.
 Data: <&#248;a lC           > F8 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001436C1D56A0, 16 bytes long.
 Data: <&#208;a lC           > D0 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001436C1D5C90, 16 bytes long.
 Data: <&#168;a lC           > A8 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001436C1D5740, 16 bytes long.
 Data: < a lC           > 80 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001436C1D5BF0, 16 bytes long.
 Data: <&#224;G lC           > E0 47 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001436C1D47E0, 40 bytes long.
 Data: <&#240;[ lC   Px&#225;mC   > F0 5B 1D 6C 43 01 00 00 50 78 E1 6D 43 01 00 00 
{260} normal block at 0x000001436C1D5560, 16 bytes long.
 Data: <`a lC           > 60 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001436C1D5CE0, 16 bytes long.
 Data: <8a lC           > 38 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001436C1CFDF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001436C1D5E20, 16 bytes long.
 Data: < a lC           > 10 61 1D 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001436C1D6110, 992 bytes long.
 Data: < ^ lC   &#240;&#253; lC   > 20 5E 1D 6C 43 01 00 00 F0 FD 1C 6C 43 01 00 00 
{92} normal block at 0x000001436C1CF970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001436C1CEE70, 16 bytes long.
 Data: <0&#192; lC           > 30 C0 1B 6C 43 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001436C1BC030, 40 bytes long.
 Data: <p&#238; lC   p&#249; lC   > 70 EE 1C 6C 43 01 00 00 70 F9 1C 6C 43 01 00 00 
{69} normal block at 0x000001436C1CF550, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001436C1CF3C0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001436C1CED30, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001436C1CE920, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001436C1CF500, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001436C1CEB50, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001436C1CF460, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001436C1CE830, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001436C1CEB00, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001436C1CE8D0, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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