Task 38680129

Name test_502-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4577_0
Workunit 31621868
Created 26 Oct 2026, 22:54:35 UTC
Sent 26 Oct 2026, 22:54:38 UTC
Report deadline 31 Oct 2026, 22:54:38 UTC
Received 27 Oct 2026, 1:00:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650718
Run time 53 min 39 sec
CPU time 44 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.31 MB
Peak swap size 3.72 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:40 (26380): wrapper (7.9.26016): starting
08:55:40 (26380): 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
08:55:42 (26380): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:55:42 (26380): 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\6\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\6\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
09:47:25 (26380): C:/Windows/system32/cmd.exe exited; CPU time 2685.812500
09:47:25 (26380): 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: 47570025 bytes.
Dumping objects ->
{3835559} normal block at 0x0000018D0401D2A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000018D0401D1C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000018D0401CC80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x0000018D0401CE40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000018D020B5890, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x0000018D04067870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x0000018D0407E550, 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) : {3835470} normal block at 0x0000018D020AFC60, 8 bytes long.
 Data: <        > 00 00 08 02 8D 01 00 00 
{3834756} normal block at 0x0000018D0407DF20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x0000018D020B03E0, 8 bytes long.
 Data: <@       > 40 A0 0D 02 8D 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018D020B1260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018D020A6140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000018D020B6EF0, 16 bytes long.
 Data: <&#168;^              > A8 5E 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018D020B6310, 16 bytes long.
 Data: < ^              > 80 5E 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018D020ADF60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000018D020B6A90, 16 bytes long.
 Data: <X^              > 58 5E 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018D020B6DB0, 16 bytes long.
 Data: <0^              > 30 5E 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018D020B6CC0, 16 bytes long.
 Data: < ^              > 08 5E 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018D020B6D60, 16 bytes long.
 Data: < ]              > E0 5D 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018D020B5900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000018D020B6D10, 16 bytes long.
 Data: <&#200;&#189;	             > C8 BD 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018D020ADEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000018D020B6270, 16 bytes long.
 Data: < &#189;	             > A0 BD 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018D020B6630, 16 bytes long.
 Data: <x&#189;	             > 78 BD 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018D020B6220, 16 bytes long.
 Data: <P&#189;	             > 50 BD 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018D020B63B0, 16 bytes long.
 Data: <(&#189;	             > 28 BD 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018D020B6F40, 16 bytes long.
 Data: < &#189;	             > 00 BD 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018D020B6450, 16 bytes long.
 Data: <&#216;&#188;	             > D8 BC 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018D020ADA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000018D020B60E0, 16 bytes long.
 Data: <&#176;&#188;	             > B0 BC 09 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018D0209BCB0, 320 bytes long.
 Data: < `       &#218;      > E0 60 0B 02 8D 01 00 00 20 DA 0A 02 8D 01 00 00 
{280} normal block at 0x0000018D020B62C0, 16 bytes long.
 Data: <&#192;]              > C0 5D 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018D020B6090, 16 bytes long.
 Data: < ]              > 98 5D 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018D020AD7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000018D020B68B0, 16 bytes long.
 Data: <p]              > 70 5D 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018D020ADD20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000018D020B61D0, 16 bytes long.
 Data: <&#184;\              > B8 5C 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018D020B6EA0, 16 bytes long.
 Data: < \              > 90 5C 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018D020B6A40, 16 bytes long.
 Data: <h\              > 68 5C 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018D020B6720, 16 bytes long.
 Data: <@\              > 40 5C 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018D020B6E50, 16 bytes long.
 Data: < \              > 18 5C 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018D020B0A20, 16 bytes long.
 Data: < [              > F0 5B 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018D020B09D0, 16 bytes long.
 Data: <0T              > 30 54 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018D020B5430, 40 bytes long.
 Data: <&#208;	      px      > D0 09 0B 02 8D 01 00 00 70 78 06 04 8D 01 00 00 
{266} normal block at 0x0000018D020B0660, 16 bytes long.
 Data: <&#208;[              > D0 5B 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018D020B07A0, 16 bytes long.
 Data: <&#168;[              > A8 5B 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018D020ADF00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000018D020B0A70, 16 bytes long.
 Data: < [              > 80 5B 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018D020B5B80, 992 bytes long.
 Data: <p        &#223;      > 70 0A 0B 02 8D 01 00 00 00 DF 0A 02 8D 01 00 00 
{98} normal block at 0x0000018D020ADDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000018D020B0570, 16 bytes long.
 Data: < U              > 10 55 0B 02 8D 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000018D020B5510, 40 bytes long.
 Data: <p        &#221;      > 70 05 0B 02 8D 01 00 00 E0 DD 0A 02 8D 01 00 00 
{73} normal block at 0x0000018D020B01B0, 16 bytes long.
 Data: <  $&#193;            > 80 EA 24 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018D020AFE90, 16 bytes long.
 Data: <@ $&#193;            > 40 E9 24 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018D020B0980, 16 bytes long.
 Data: < W!&#193;            > F8 57 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018D020B0430, 16 bytes long.
 Data: <&#216;W!&#193;            > D8 57 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018D020AFD50, 16 bytes long.
 Data: <P !&#193;            > 50 04 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018D020B0390, 16 bytes long.
 Data: <0 !&#193;            > 30 04 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018D020AFE40, 16 bytes long.
 Data: <  !&#193;            > E0 02 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018D020AFF30, 16 bytes long.
 Data: <  !&#193;            > 10 04 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018D020AFD00, 16 bytes long.
 Data: <p !&#193;            > 70 04 21 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018D020AFDF0, 16 bytes long.
 Data: < &#192; &#193;            > 18 C0 1F C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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