Task 38687860

Name test_925-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9753_0
Workunit 31629233
Created 28 Oct 2026, 10:13:18 UTC
Sent 28 Oct 2026, 10:13:20 UTC
Report deadline 2 Nov 2026, 10:13:20 UTC
Received 28 Oct 2026, 10:50:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 26 sec
CPU time 32 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.38 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:15:45 (12712): wrapper (7.9.26016): starting
11:15:45 (12712): 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
11:15:47 (12712): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:15:47 (12712): 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:\Boinc_data\slots\15\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:\Boinc_data\slots\15\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
11:49:24 (12712): C:/Windows/system32/cmd.exe exited; CPU time 1941.390625
11:49:24 (12712): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 44433809 bytes.
Dumping objects ->
{3835307} normal block at 0x00000264393667A0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x000002643AFD4E40, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x000002643AFD4FC0, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x000002643AFD4B40, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x000002643AFD57A0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x0000026439366810, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x000002643AF9E360, 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) : {3835218} normal block at 0x00000264393373A0, 8 bytes long.
 Data: <  &#216;:d   > 00 00 D8 3A 64 02 00 00 
{3834570} normal block at 0x000002643AF9E150, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000026439337710, 8 bytes long.
 Data: <&#240;f ;d   > F0 66 05 3B 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000264393419F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002643933D5D0, 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 0x00000264393438E0, 16 bytes long.
 Data: <&#200;B49d           > C8 42 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026439343110, 16 bytes long.
 Data: <&#160;B49d           > A0 42 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002643933BA30, 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 0x00000264393437F0, 16 bytes long.
 Data: <xB49d           > 78 42 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026439343020, 16 bytes long.
 Data: <PB49d           > 50 42 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026439342C60, 16 bytes long.
 Data: <(B49d           > 28 42 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026439343160, 16 bytes long.
 Data: < B49d           > 00 42 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002643933D980, 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 0x0000026439342BC0, 16 bytes long.
 Data: <&#200;(49d           > C8 28 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002643933BD30, 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 0x0000026439342DA0, 16 bytes long.
 Data: <&#160;(49d           > A0 28 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026439342AD0, 16 bytes long.
 Data: <x(49d           > 78 28 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026439343930, 16 bytes long.
 Data: <P(49d           > 50 28 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026439342D50, 16 bytes long.
 Data: <((49d           > 28 28 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026439343200, 16 bytes long.
 Data: < (49d           > 00 28 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000264393437A0, 16 bytes long.
 Data: <&#216;'49d           > D8 27 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002643933C810, 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 0x0000026439343430, 16 bytes long.
 Data: <&#176;'49d           > B0 27 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000264393427B0, 320 bytes long.
 Data: <0449d    &#200;39d   > 30 34 34 39 64 02 00 00 10 C8 33 39 64 02 00 00 
{274} normal block at 0x00000264393433E0, 16 bytes long.
 Data: <&#224;A49d           > E0 41 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026439343070, 16 bytes long.
 Data: <&#184;A49d           > B8 41 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002643933B9D0, 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 0x0000026439342FD0, 16 bytes long.
 Data: < A49d           > 90 41 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002643933C450, 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 0x0000026439342A80, 16 bytes long.
 Data: <&#216;@49d           > D8 40 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026439342A30, 16 bytes long.
 Data: <&#176;@49d           > B0 40 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026439342F30, 16 bytes long.
 Data: < @49d           > 88 40 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026439342B70, 16 bytes long.
 Data: <`@49d           > 60 40 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026439343750, 16 bytes long.
 Data: <8@49d           > 38 40 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026439343520, 16 bytes long.
 Data: < @49d           > 10 40 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026439342B20, 16 bytes long.
 Data: <0&#223;39d           > 30 DF 33 39 64 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002643933DF30, 40 bytes long.
 Data: < +49d    h69d   > 20 2B 34 39 64 02 00 00 10 68 36 39 64 02 00 00 
{260} normal block at 0x0000026439343890, 16 bytes long.
 Data: <&#240;?49d           > F0 3F 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026439342EE0, 16 bytes long.
 Data: <&#200;?49d           > C8 3F 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002643933C1B0, 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 0x0000026439342F80, 16 bytes long.
 Data: <&#160;?49d           > A0 3F 34 39 64 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026439343FA0, 992 bytes long.
 Data: < /49d   &#176;&#193;39d   > 80 2F 34 39 64 02 00 00 B0 C1 33 39 64 02 00 00 
{92} normal block at 0x000002643933BBB0, 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 0x00000264393376C0, 16 bytes long.
 Data: < &#217;39d           > 10 D9 33 39 64 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002643933D910, 40 bytes long.
 Data: <&#192;v39d   &#176;&#187;39d   > C0 76 33 39 64 02 00 00 B0 BB 33 39 64 02 00 00 
{69} normal block at 0x00000264393375D0, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026439336E00, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026439337350, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026439337300, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026439336B80, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026439337170, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026439336B30, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026439336F90, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000264393378A0, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026439337120, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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