Task 38676940

Name test_777-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6019_0
Workunit 31618831
Created 26 Oct 2026, 12:47:32 UTC
Sent 26 Oct 2026, 12:47:37 UTC
Report deadline 31 Oct 2026, 12:47:37 UTC
Received 26 Oct 2026, 13:55:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 33 min 5 sec
CPU time 30 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.35 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:23:31 (38140): wrapper (7.9.26016): starting
09:23:31 (38140): 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
09:23:32 (38140): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:23:32 (38140): 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\31\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\31\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
09:55:30 (38140): C:/Windows/system32/cmd.exe exited; CPU time 1830.250000
09:55:30 (38140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 39232310 bytes.
Dumping objects ->
{3835291} normal block at 0x000001D7676C86E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000001D7676C7D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001D7676C7870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x000001D7676C8590, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001D7676C7FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x000001D7696CA990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001D7696DBB30, 85 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) : {3835202} normal block at 0x000001D7676A4B50, 8 bytes long.
 Data: <  _g&#215;   > 00 00 5F 67 D7 01 00 00 
{3834578} normal block at 0x000001D7696DC8F0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001D7676A50F0, 8 bytes long.
 Data: <`&#231;8i&#215;   > 60 E7 38 69 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D767695410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D7676575D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001D7676A56E0, 16 bytes long.
 Data: < Fjg&#215;           > 98 46 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D7676A54B0, 16 bytes long.
 Data: <pFjg&#215;           > 70 46 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D76769C4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001D7676A5410, 16 bytes long.
 Data: <HFjg&#215;           > 48 46 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D7676A48D0, 16 bytes long.
 Data: < Fjg&#215;           > 20 46 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D7676A49C0, 16 bytes long.
 Data: <&#248;Ejg&#215;           > F8 45 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D76769FDD0, 16 bytes long.
 Data: <&#208;Ejg&#215;           > D0 45 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D76769E480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001D7676A08C0, 16 bytes long.
 Data: <&#168;@jg&#215;           > A8 40 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D76769C810, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001D7676A0820, 16 bytes long.
 Data: < @jg&#215;           > 80 40 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D7676A03C0, 16 bytes long.
 Data: <X@jg&#215;           > 58 40 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D7676A0780, 16 bytes long.
 Data: <0@jg&#215;           > 30 40 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7676A0370, 16 bytes long.
 Data: < @jg&#215;           > 08 40 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D7676A0320, 16 bytes long.
 Data: <&#224;?jg&#215;           > E0 3F 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D7676A02D0, 16 bytes long.
 Data: <&#184;?jg&#215;           > B8 3F 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D76769C390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001D7676A0640, 16 bytes long.
 Data: < ?jg&#215;           > 90 3F 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D7676A3F90, 320 bytes long.
 Data: <@ jg&#215;    &#195;ig&#215;   > 40 06 6A 67 D7 01 00 00 90 C3 69 67 D7 01 00 00 
{281} normal block at 0x000001D7676A09B0, 16 bytes long.
 Data: <&#176;Ejg&#215;           > B0 45 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D76769FC40, 16 bytes long.
 Data: < Ejg&#215;           > 88 45 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D76769CAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001D7676A0280, 16 bytes long.
 Data: <`Ejg&#215;           > 60 45 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D76769C6F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001D7676A0AF0, 16 bytes long.
 Data: <&#168;Djg&#215;           > A8 44 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D7676A0AA0, 16 bytes long.
 Data: < Djg&#215;           > 80 44 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D7676A0A00, 16 bytes long.
 Data: <XDjg&#215;           > 58 44 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D7676A0960, 16 bytes long.
 Data: <0Djg&#215;           > 30 44 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7676A00A0, 16 bytes long.
 Data: < Djg&#215;           > 08 44 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D7676A0050, 16 bytes long.
 Data: <&#224;Cjg&#215;           > E0 43 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D7676A0690, 16 bytes long.
 Data: <p&#225;ig&#215;           > 70 E1 69 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D76769E170, 40 bytes long.
 Data: <  jg&#215;    &#169;li&#215;   > 90 06 6A 67 D7 01 00 00 90 A9 6C 69 D7 01 00 00 
{267} normal block at 0x000001D7676A06E0, 16 bytes long.
 Data: <&#192;Cjg&#215;           > C0 43 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D7676A05A0, 16 bytes long.
 Data: < Cjg&#215;           > 98 43 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D76769C270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001D7676A0500, 16 bytes long.
 Data: <pCjg&#215;           > 70 43 6A 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D7676A4370, 992 bytes long.
 Data: <  jg&#215;   p&#194;ig&#215;   > 00 05 6A 67 D7 01 00 00 70 C2 69 67 D7 01 00 00 
{99} normal block at 0x000001D76769C210, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001D76769FC90, 16 bytes long.
 Data: < &#228;ig&#215;           > 10 E4 69 67 D7 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D76769E410, 40 bytes long.
 Data: < &#252;ig&#215;    &#194;ig&#215;   > 90 FC 69 67 D7 01 00 00 10 C2 69 67 D7 01 00 00 
{76} normal block at 0x000001D7676A0000, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D7676A04B0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D76769FFB0, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D76769FEC0, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D76769FE70, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D76769FBA0, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D7676A0730, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D76769FF10, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D76769FF60, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D7676A0140, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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