Task 38686723

Name test_682-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5687_0
Workunit 31628144
Created 28 Oct 2026, 4:03:40 UTC
Sent 28 Oct 2026, 4:03:44 UTC
Report deadline 2 Nov 2026, 4:03:44 UTC
Received 28 Oct 2026, 5:03:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 59 min 9 sec
CPU time 53 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.11 MB
Peak swap size 11.28 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:06:09 (15400): wrapper (7.9.26016): starting
05:06:09 (15400): 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
05:06:11 (15400): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:06:11 (15400): 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\29\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\29\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
06:03:09 (15400): C:/Windows/system32/cmd.exe exited; CPU time 3232.093750
06:03:09 (15400): 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: 47305969 bytes.
Dumping objects ->
{3835220} normal block at 0x000001E0273770E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001E027377770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001E027377930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x000001E027377B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001E0273772A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x000001E028FDC980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835132} normal block at 0x000001E027349040, 8 bytes long.
 Data: <  *'&#224;   > 00 00 2A 27 E0 01 00 00 
{3833949} normal block at 0x000001E027349450, 8 bytes long.
 Data: < &#230;&#243;(&#224;   > 00 E6 F3 28 E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E027352B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E027335C70, 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 0x000001E0273547F0, 16 bytes long.
 Data: <&#168;N5'&#224;           > A8 4E 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E027354570, 16 bytes long.
 Data: < N5'&#224;           > 80 4E 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E02734FC60, 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 0x000001E027353C60, 16 bytes long.
 Data: <XN5'&#224;           > 58 4E 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E027353E90, 16 bytes long.
 Data: <0N5'&#224;           > 30 4E 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E027353E40, 16 bytes long.
 Data: < N5'&#224;           > 08 4E 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E027354200, 16 bytes long.
 Data: <&#224;M5'&#224;           > E0 4D 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E02734E150, 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 0x000001E027354520, 16 bytes long.
 Data: < \3'&#224;           > 08 5C 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E02734FAE0, 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 0x000001E027354110, 16 bytes long.
 Data: <&#224;[3'&#224;           > E0 5B 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E027353DF0, 16 bytes long.
 Data: <&#184;[3'&#224;           > B8 5B 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E0273544D0, 16 bytes long.
 Data: < [3'&#224;           > 90 5B 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E0273549D0, 16 bytes long.
 Data: <h[3'&#224;           > 68 5B 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E027353DA0, 16 bytes long.
 Data: <@[3'&#224;           > 40 5B 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E027353CB0, 16 bytes long.
 Data: < [3'&#224;           > 18 5B 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E02734F720, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000001E027354480, 16 bytes long.
 Data: <&#240;Z3'&#224;           > F0 5A 33 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E027335AF0, 320 bytes long.
 Data: < D5'&#224;    &#247;4'&#224;   > 80 44 35 27 E0 01 00 00 20 F7 34 27 E0 01 00 00 
{270} normal block at 0x000001E0273543E0, 16 bytes long.
 Data: <&#192;M5'&#224;           > C0 4D 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E027354750, 16 bytes long.
 Data: < M5'&#224;           > 98 4D 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E02734F6C0, 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 0x000001E0273542F0, 16 bytes long.
 Data: <pM5'&#224;           > 70 4D 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E02734F240, 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 0x000001E027354700, 16 bytes long.
 Data: <&#184;L5'&#224;           > B8 4C 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E027353C10, 16 bytes long.
 Data: < L5'&#224;           > 90 4C 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E027353BC0, 16 bytes long.
 Data: <hL5'&#224;           > 68 4C 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E027354930, 16 bytes long.
 Data: <@L5'&#224;           > 40 4C 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E0273542A0, 16 bytes long.
 Data: < L5'&#224;           > 18 4C 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E027354B10, 16 bytes long.
 Data: <&#240;K5'&#224;           > F0 4B 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E0273540C0, 16 bytes long.
 Data: <@&#222;4'&#224;           > 40 DE 34 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E02734DE40, 40 bytes long.
 Data: <&#192;@5'&#224;    &#201;&#253;(&#224;   > C0 40 35 27 E0 01 00 00 80 C9 FD 28 E0 01 00 00 
{256} normal block at 0x000001E027354AC0, 16 bytes long.
 Data: <&#208;K5'&#224;           > D0 4B 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E027353FD0, 16 bytes long.
 Data: <&#168;K5'&#224;           > A8 4B 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E02734FBA0, 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 0x000001E027354840, 16 bytes long.
 Data: < K5'&#224;           > 80 4B 35 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E027354B80, 992 bytes long.
 Data: <@H5'&#224;   &#160;&#251;4'&#224;   > 40 48 35 27 E0 01 00 00 A0 FB 34 27 E0 01 00 00 
{88} normal block at 0x000001E02734F840, 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 0x000001E027348E60, 16 bytes long.
 Data: <&#224;&#224;4'&#224;           > E0 E0 34 27 E0 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001E02734E0E0, 40 bytes long.
 Data: <`&#142;4'&#224;   @&#248;4'&#224;   > 60 8E 34 27 E0 01 00 00 40 F8 34 27 E0 01 00 00 
{65} normal block at 0x000001E027349900, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E0273493B0, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E027348FF0, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E027349360, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E0273495E0, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E027349540, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E027349270, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E027349220, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E027349770, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E027348F00, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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