Task 38675849

Name test_864-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1542_0
Workunit 31617797
Created 26 Oct 2026, 9:29:30 UTC
Sent 26 Oct 2026, 9:29:32 UTC
Report deadline 31 Oct 2026, 9:29:32 UTC
Received 26 Oct 2026, 10:03:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 27 sec
CPU time 27 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.04 MB
Peak swap size 9.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:34:24 (66624): wrapper (7.9.26016): starting
10:34:24 (66624): 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
10:34:26 (66624): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:34:26 (66624): 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:\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 'D:\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
11:02:38 (66624): C:/Windows/system32/cmd.exe exited; CPU time 1673.531250
11:02:38 (66624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 37753371 bytes.
Dumping objects ->
{3835278} normal block at 0x000002AB30199850, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002AB30198F90, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000002AB2E475A00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000002AB2E475990, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002AB2E475680, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x000002AB301A4740, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x000002AB2E46B400, 8 bytes long.
 Data: <  &#135;.&#171;   > 00 00 87 2E AB 02 00 00 
{3833975} normal block at 0x000002AB2E46B8B0, 8 bytes long.
 Data: <&#192;F 0&#171;   > C0 46 20 30 AB 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002AB2E4721E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002AB2E467160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000002AB2E476C60, 16 bytes long.
 Data: <&#232;uG.&#171;           > E8 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002AB2E476800, 16 bytes long.
 Data: <&#192;uG.&#171;           > C0 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002AB2E46F0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000002AB2E4770C0, 16 bytes long.
 Data: < uG.&#171;           > 98 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002AB2E476580, 16 bytes long.
 Data: <puG.&#171;           > 70 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002AB2E476D50, 16 bytes long.
 Data: <HuG.&#171;           > 48 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AB2E476A80, 16 bytes long.
 Data: < uG.&#171;           > 20 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AB2E475530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000002AB2E476490, 16 bytes long.
 Data: <8 F.&#171;           > 38 05 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AB2E46F030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000002AB2E476620, 16 bytes long.
 Data: <  F.&#171;           > 10 05 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AB2E477250, 16 bytes long.
 Data: <&#232; F.&#171;           > E8 04 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AB2E477070, 16 bytes long.
 Data: <&#192; F.&#171;           > C0 04 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AB2E476990, 16 bytes long.
 Data: <  F.&#171;           > 98 04 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AB2E477020, 16 bytes long.
 Data: <p F.&#171;           > 70 04 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AB2E476D00, 16 bytes long.
 Data: <H F.&#171;           > 48 04 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002AB2E46F090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000002AB2E476EE0, 16 bytes long.
 Data: <  F.&#171;           > 20 04 46 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AB2E460420, 320 bytes long.
 Data: <&#224;nG.&#171;    &#240;F.&#171;   > E0 6E 47 2E AB 02 00 00 90 F0 46 2E AB 02 00 00 
{283} normal block at 0x000002AB2E476760, 16 bytes long.
 Data: < uG.&#171;           > 00 75 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AB2E476B20, 16 bytes long.
 Data: <&#216;tG.&#171;           > D8 74 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AB2E46FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000002AB2E476530, 16 bytes long.
 Data: <&#176;tG.&#171;           > B0 74 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AB2E46EF70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000002AB2E476440, 16 bytes long.
 Data: <&#248;sG.&#171;           > F8 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AB2E476C10, 16 bytes long.
 Data: <&#208;sG.&#171;           > D0 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AB2E476850, 16 bytes long.
 Data: <&#168;sG.&#171;           > A8 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AB2E476A30, 16 bytes long.
 Data: < sG.&#171;           > 80 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AB2E4763F0, 16 bytes long.
 Data: <XsG.&#171;           > 58 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AB2E476FD0, 16 bytes long.
 Data: <0sG.&#171;           > 30 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AB2E476F80, 16 bytes long.
 Data: <&#224;ZG.&#171;           > E0 5A 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AB2E475AE0, 40 bytes long.
 Data: < oG.&#171;   @G 0&#171;   > 80 6F 47 2E AB 02 00 00 40 47 1A 30 AB 02 00 00 
{269} normal block at 0x000002AB2E4769E0, 16 bytes long.
 Data: < sG.&#171;           > 10 73 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AB2E4764E0, 16 bytes long.
 Data: <&#232;rG.&#171;           > E8 72 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AB2E46F270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000002AB2E476940, 16 bytes long.
 Data: <&#192;rG.&#171;           > C0 72 47 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AB2E4772C0, 992 bytes long.
 Data: <@iG.&#171;   p&#242;F.&#171;   > 40 69 47 2E AB 02 00 00 70 F2 46 2E AB 02 00 00 
{101} normal block at 0x000002AB2E46F390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000002AB2E46B9F0, 16 bytes long.
 Data: <&#240;&#217;E.&#171;           > F0 D9 45 2E AB 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000002AB2E45D9F0, 40 bytes long.
 Data: <&#240;&#185;F.&#171;    &#243;F.&#171;   > F0 B9 46 2E AB 02 00 00 90 F3 46 2E AB 02 00 00 
{78} normal block at 0x000002AB2E46B360, 16 bytes long.
 Data: < &#234;)n&#247;           > 80 EA 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002AB2E46BAE0, 16 bytes long.
 Data: <@&#233;)n&#247;           > 40 E9 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002AB2E46AE10, 16 bytes long.
 Data: <&#248;W&n&#247;           > F8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002AB2E46B590, 16 bytes long.
 Data: <&#216;W&n&#247;           > D8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002AB2E46B540, 16 bytes long.
 Data: <P &n&#247;           > 50 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002AB2E46AF00, 16 bytes long.
 Data: <0 &n&#247;           > 30 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002AB2E46B7C0, 16 bytes long.
 Data: <&#224; &n&#247;           > E0 02 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002AB2E46BA90, 16 bytes long.
 Data: <  &n&#247;           > 10 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AB2E46B220, 16 bytes long.
 Data: <p &n&#247;           > 70 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AB2E46B950, 16 bytes long.
 Data: < &#192;$n&#247;           > 18 C0 24 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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