Task 38694867

Name test_734-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4457_0
Workunit 31635596
Created 31 Oct 2026, 3:16:57 UTC
Sent 31 Oct 2026, 3:17:03 UTC
Report deadline 5 Nov 2026, 3:17:03 UTC
Received 31 Oct 2026, 3:36:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647288
Run time 18 min 48 sec
CPU time 17 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 57,419.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.47 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:17:56 (410100): wrapper (7.9.26016): starting
04:17:56 (410100): 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
04:17:57 (410100): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:17:57 (410100): 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\24\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\24\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
04:35:58 (410100): C:/Windows/system32/cmd.exe exited; CPU time 1038.937500
04:35:58 (410100): 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: 22242891 bytes.
Dumping objects ->
{3835706} normal block at 0x000001C35084C340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835695} normal block at 0x000001C35084C650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835684} normal block at 0x000001C35084CA40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835673} normal block at 0x000001C35084CEA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835662} normal block at 0x000001C34EB948A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835631} normal block at 0x000001C3508956E0, 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) : {3835618} normal block at 0x000001C34EB8F2B0, 8 bytes long.
 Data: <  &#246;N&#195;   > 00 00 F6 4E C3 01 00 00 
{3833957} normal block at 0x000001C34EB8F530, 8 bytes long.
 Data: <07 P&#195;   > 30 37 8F 50 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C34EB91140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C34EB86980, 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 0x000001C34EB95AF0, 16 bytes long.
 Data: < T&#185;N&#195;           > 08 54 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C34EB95C80, 16 bytes long.
 Data: <&#224;S&#185;N&#195;           > E0 53 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C34EB8FD70, 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 0x000001C34EB960E0, 16 bytes long.
 Data: <&#184;S&#185;N&#195;           > B8 53 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C34EB955F0, 16 bytes long.
 Data: < S&#185;N&#195;           > 90 53 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C34EB961D0, 16 bytes long.
 Data: <hS&#185;N&#195;           > 68 53 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C34EB95EB0, 16 bytes long.
 Data: <@S&#185;N&#195;           > 40 53 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C34EB94BB0, 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 0x000001C34EB95AA0, 16 bytes long.
 Data: <  &#184;N&#195;           > 08 8F B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C34EB8FEF0, 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 0x000001C34EB95A50, 16 bytes long.
 Data: <&#224;&#142;&#184;N&#195;           > E0 8E B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C34EB96180, 16 bytes long.
 Data: <&#184;&#142;&#184;N&#195;           > B8 8E B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C34EB95B40, 16 bytes long.
 Data: < &#142;&#184;N&#195;           > 90 8E B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C34EB95A00, 16 bytes long.
 Data: <h&#142;&#184;N&#195;           > 68 8E B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C34EB95960, 16 bytes long.
 Data: <@&#142;&#184;N&#195;           > 40 8E B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C34EB955A0, 16 bytes long.
 Data: < &#142;&#184;N&#195;           > 18 8E B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C34EB900D0, 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 0x000001C34EB95730, 16 bytes long.
 Data: <&#240; &#184;N&#195;           > F0 8D B8 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C34EB88DF0, 320 bytes long.
 Data: <0W&#185;N&#195;   &#208; &#185;N&#195;   > 30 57 B9 4E C3 01 00 00 D0 00 B9 4E C3 01 00 00 
{274} normal block at 0x000001C34EB95870, 16 bytes long.
 Data: < S&#185;N&#195;           > 20 53 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C34EB959B0, 16 bytes long.
 Data: <&#248;R&#185;N&#195;           > F8 52 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C34EB8FE90, 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 0x000001C34EB958C0, 16 bytes long.
 Data: <&#208;R&#185;N&#195;           > D0 52 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C34EB8FF50, 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 0x000001C34EB956E0, 16 bytes long.
 Data: < R&#185;N&#195;           > 18 52 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C34EB957D0, 16 bytes long.
 Data: <&#240;Q&#185;N&#195;           > F0 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C34EB96220, 16 bytes long.
 Data: <&#200;Q&#185;N&#195;           > C8 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C34EB95780, 16 bytes long.
 Data: <&#160;Q&#185;N&#195;           > A0 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C34EB95690, 16 bytes long.
 Data: <xQ&#185;N&#195;           > 78 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C34EB8E9F0, 16 bytes long.
 Data: <PQ&#185;N&#195;           > 50 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C34EB8ED60, 16 bytes long.
 Data: < I&#185;N&#195;           > 10 49 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C34EB94910, 40 bytes long.
 Data: <`&#237;&#184;N&#195;   &#224;V&#137;P&#195;   > 60 ED B8 4E C3 01 00 00 E0 56 89 50 C3 01 00 00 
{260} normal block at 0x000001C34EB8F210, 16 bytes long.
 Data: <0Q&#185;N&#195;           > 30 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C34EB8E9A0, 16 bytes long.
 Data: < Q&#185;N&#195;           > 08 51 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C34EB8F8F0, 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 0x000001C34EB8F440, 16 bytes long.
 Data: <&#224;P&#185;N&#195;           > E0 50 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C34EB950E0, 992 bytes long.
 Data: <@&#244;&#184;N&#195;   &#240;&#248;&#184;N&#195;   > 40 F4 B8 4E C3 01 00 00 F0 F8 B8 4E C3 01 00 00 
{92} normal block at 0x000001C34EB8FE30, 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 0x000001C34EB8F350, 16 bytes long.
 Data: < E&#185;N&#195;           > 90 45 B9 4E C3 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001C34EB94590, 40 bytes long.
 Data: <P&#243;&#184;N&#195;   0&#254;&#184;N&#195;   > 50 F3 B8 4E C3 01 00 00 30 FE B8 4E C3 01 00 00 
{69} normal block at 0x000001C34EB8F1C0, 16 bytes long.
 Data: < &#234;&#167;p&#246;           > 80 EA A7 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C34EB8F3A0, 16 bytes long.
 Data: <@&#233;&#167;p&#246;           > 40 E9 A7 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C34EB8EA90, 16 bytes long.
 Data: <&#248;W&#164;p&#246;           > F8 57 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C34EB8F120, 16 bytes long.
 Data: <&#216;W&#164;p&#246;           > D8 57 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C34EB8F030, 16 bytes long.
 Data: <P &#164;p&#246;           > 50 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C34EB8E860, 16 bytes long.
 Data: <0 &#164;p&#246;           > 30 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C34EB8E7C0, 16 bytes long.
 Data: <&#224; &#164;p&#246;           > E0 02 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C34EB8EFE0, 16 bytes long.
 Data: <  &#164;p&#246;           > 10 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C34EB8EC20, 16 bytes long.
 Data: <p &#164;p&#246;           > 70 04 A4 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C34EB8EF90, 16 bytes long.
 Data: < &#192;&#162;p&#246;           > 18 C0 A2 70 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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