Task 38686236

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8551_0
Workunit 31627674
Created 28 Oct 2026, 1:27:38 UTC
Sent 28 Oct 2026, 1:27:40 UTC
Report deadline 2 Nov 2026, 1:27:40 UTC
Received 28 Oct 2026, 2:04:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 36 min 15 sec
CPU time 31 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.63 MB
Peak swap size 13.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:28:55 (17952): wrapper (7.9.26016): starting
18:28:55 (17952): 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
18:28:57 (17952): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:28:57 (17952): 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\1\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\1\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
19:04:03 (17952): C:/Windows/system32/cmd.exe exited; CPU time 1879.546875
19:04:03 (17952): 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: 29210319 bytes.
Dumping objects ->
{3835318} normal block at 0x00000187D3244A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000187D32449E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x00000187D3244AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x00000187D3244DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x00000187D3244D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x00000187D4FF4A20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x00000187D500F2C0, 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) : {3835229} normal block at 0x00000187D323F0E0, 8 bytes long.
 Data: <  n&#211;&#135;   > 00 00 6E D3 87 01 00 00 
{3834578} normal block at 0x00000187D500EA80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000187D323F400, 8 bytes long.
 Data: < T &#213;&#135;   > 80 54 08 D5 87 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000187D3241380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000187D32360C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000187D32464A0, 16 bytes long.
 Data: <&#216;h$&#211;&#135;           > D8 68 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000187D3246270, 16 bytes long.
 Data: <&#176;h$&#211;&#135;           > B0 68 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000187D3240890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000187D3245B40, 16 bytes long.
 Data: < h$&#211;&#135;           > 88 68 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000187D3245C30, 16 bytes long.
 Data: <`h$&#211;&#135;           > 60 68 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000187D32456E0, 16 bytes long.
 Data: <8h$&#211;&#135;           > 38 68 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000187D3245F00, 16 bytes long.
 Data: < h$&#211;&#135;           > 10 68 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000187D3245070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000187D3245FA0, 16 bytes long.
 Data: <H&#232;#&#211;&#135;           > 48 E8 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000187D323FB70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000187D3245E60, 16 bytes long.
 Data: < &#232;#&#211;&#135;           > 20 E8 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000187D32462C0, 16 bytes long.
 Data: <&#248;&#231;#&#211;&#135;           > F8 E7 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000187D32461D0, 16 bytes long.
 Data: <&#208;&#231;#&#211;&#135;           > D0 E7 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000187D3245DC0, 16 bytes long.
 Data: <&#168;&#231;#&#211;&#135;           > A8 E7 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000187D3245AA0, 16 bytes long.
 Data: < &#231;#&#211;&#135;           > 80 E7 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000187D3245960, 16 bytes long.
 Data: <X&#231;#&#211;&#135;           > 58 E7 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000187D323FF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000187D3245BE0, 16 bytes long.
 Data: <0&#231;#&#211;&#135;           > 30 E7 23 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000187D323E730, 320 bytes long.
 Data: <&#224;[$&#211;&#135;    &#255;#&#211;&#135;   > E0 5B 24 D3 87 01 00 00 90 FF 23 D3 87 01 00 00 
{276} normal block at 0x00000187D3245910, 16 bytes long.
 Data: <&#240;g$&#211;&#135;           > F0 67 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000187D3246180, 16 bytes long.
 Data: <&#200;g$&#211;&#135;           > C8 67 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000187D32408F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000187D3245E10, 16 bytes long.
 Data: <&#160;g$&#211;&#135;           > A0 67 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000187D3240350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000187D32458C0, 16 bytes long.
 Data: <&#232;f$&#211;&#135;           > E8 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000187D3245CD0, 16 bytes long.
 Data: <&#192;f$&#211;&#135;           > C0 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000187D3245820, 16 bytes long.
 Data: < f$&#211;&#135;           > 98 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000187D32459B0, 16 bytes long.
 Data: <pf$&#211;&#135;           > 70 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000187D32463B0, 16 bytes long.
 Data: <Hf$&#211;&#135;           > 48 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000187D3245870, 16 bytes long.
 Data: < f$&#211;&#135;           > 20 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000187D3246130, 16 bytes long.
 Data: <@N$&#211;&#135;           > 40 4E 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000187D3244E40, 40 bytes long.
 Data: <0a$&#211;&#135;    J&#255;&#212;&#135;   > 30 61 24 D3 87 01 00 00 20 4A FF D4 87 01 00 00 
{262} normal block at 0x00000187D3246220, 16 bytes long.
 Data: < f$&#211;&#135;           > 00 66 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000187D3245F50, 16 bytes long.
 Data: <&#216;e$&#211;&#135;           > D8 65 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000187D3240650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000187D32460E0, 16 bytes long.
 Data: <&#176;e$&#211;&#135;           > B0 65 24 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000187D32465B0, 992 bytes long.
 Data: <&#224;`$&#211;&#135;   P $&#211;&#135;   > E0 60 24 D3 87 01 00 00 50 06 24 D3 87 01 00 00 
{94} normal block at 0x00000187D3240950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000187D323ED70, 16 bytes long.
 Data: <&#160;&#229;"&#211;&#135;           > A0 E5 22 D3 87 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000187D322E5A0, 40 bytes long.
 Data: <p&#237;#&#211;&#135;   P	$&#211;&#135;   > 70 ED 23 D3 87 01 00 00 50 09 24 D3 87 01 00 00 
{71} normal block at 0x00000187D323F6D0, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000187D323F950, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000187D323F630, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000187D323EBE0, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000187D323F900, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000187D323EFA0, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000187D323F8B0, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000187D323F860, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000187D323F810, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000187D323F090, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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