Task 38675876

Name test_348-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2759_0
Workunit 31617824
Created 26 Oct 2026, 9:35:45 UTC
Sent 26 Oct 2026, 9:35:56 UTC
Report deadline 31 Oct 2026, 9:35:56 UTC
Received 26 Oct 2026, 10:37:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 31 sec
CPU time 14 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 771.16 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
11:22:20 (55648): wrapper (7.9.26016): starting
11:22:20 (55648): 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
11:22:21 (55648): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:22:21 (55648): 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\0\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\0\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
11:37:17 (55648): C:/Windows/system32/cmd.exe exited; CPU time 881.000000
11:37:17 (55648): 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: 21752114 bytes.
Dumping objects ->
{3835546} normal block at 0x0000020B99264740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000020B992647B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000020B992646D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000020B99264C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000020B992649E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000020B9AF490A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000020B9AF5BC20, 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) : {3835457} normal block at 0x0000020B9925EBD0, 8 bytes long.
 Data: <        > 00 00 1F 99 0B 02 00 00 
{3834685} normal block at 0x0000020B9AF5D7A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000020B9925F670, 8 bytes long.
 Data: <&#240;K&#250;&#154;    > F0 4B FA 9A 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020B99260EC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020B99255ED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020B99265D60, 16 bytes long.
 Data: <Xe&             > 58 65 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020B99266080, 16 bytes long.
 Data: <0e&             > 30 65 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B99260090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020B99265900, 16 bytes long.
 Data: < e&             > 08 65 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B99265DB0, 16 bytes long.
 Data: <&#224;d&             > E0 64 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B99265590, 16 bytes long.
 Data: <&#184;d&             > B8 64 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B99265D10, 16 bytes long.
 Data: < d&             > 90 64 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B99264970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020B992654F0, 16 bytes long.
 Data: <  %             > 08 8F 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B9925F7F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020B99265540, 16 bytes long.
 Data: <&#224;&#142;%             > E0 8E 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B992654A0, 16 bytes long.
 Data: <&#184;&#142;%             > B8 8E 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B99265450, 16 bytes long.
 Data: < &#142;%             > 90 8E 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B99265630, 16 bytes long.
 Data: <h&#142;%             > 68 8E 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B99265CC0, 16 bytes long.
 Data: <@&#142;%             > 40 8E 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B99265770, 16 bytes long.
 Data: < &#142;%             > 18 8E 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B9925F970, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020B99265360, 16 bytes long.
 Data: <&#240; %             > F0 8D 25 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B99258DF0, 320 bytes long.
 Data: <`S&     p&#249;%     > 60 53 26 99 0B 02 00 00 70 F9 25 99 0B 02 00 00 
{276} normal block at 0x0000020B99265AE0, 16 bytes long.
 Data: <pd&             > 70 64 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B99265F90, 16 bytes long.
 Data: <Hd&             > 48 64 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B9925FFD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020B992653B0, 16 bytes long.
 Data: < d&             > 20 64 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B9925FF70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020B99265400, 16 bytes long.
 Data: <hc&             > 68 63 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020B992655E0, 16 bytes long.
 Data: <@c&             > 40 63 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B99265310, 16 bytes long.
 Data: < c&             > 18 63 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B99265A40, 16 bytes long.
 Data: <&#240;b&             > F0 62 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B99265E00, 16 bytes long.
 Data: <&#200;b&             > C8 62 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B99265C70, 16 bytes long.
 Data: <&#160;b&             > A0 62 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B992659F0, 16 bytes long.
 Data: <PJ&             > 50 4A 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B99264A50, 40 bytes long.
 Data: <&#240;Y&     &#160; &#244;&#154;    > F0 59 26 99 0B 02 00 00 A0 90 F4 9A 0B 02 00 00 
{262} normal block at 0x0000020B99265C20, 16 bytes long.
 Data: < b&             > 80 62 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B992659A0, 16 bytes long.
 Data: <Xb&             > 58 62 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B99260030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020B99265BD0, 16 bytes long.
 Data: <0b&             > 30 62 26 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B99266230, 992 bytes long.
 Data: <&#208;[&     0 &     > D0 5B 26 99 0B 02 00 00 30 00 26 99 0B 02 00 00 
{94} normal block at 0x0000020B9925FAF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020B9925F2B0, 16 bytes long.
 Data: <p&#238;$             > 70 EE 24 99 0B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020B9924EE70, 40 bytes long.
 Data: <&#176;&#242;%     &#240;&#250;%     > B0 F2 25 99 0B 02 00 00 F0 FA 25 99 0B 02 00 00 
{71} normal block at 0x0000020B9925F530, 16 bytes long.
 Data: < &#234;t &#246;           > 80 EA 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020B9925F1C0, 16 bytes long.
 Data: <@&#233;t &#246;           > 40 E9 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B9925F580, 16 bytes long.
 Data: <&#248;Wq &#246;           > F8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B9925F300, 16 bytes long.
 Data: <&#216;Wq &#246;           > D8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B9925E810, 16 bytes long.
 Data: <P q &#246;           > 50 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B9925F490, 16 bytes long.
 Data: <0 q &#246;           > 30 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B9925F620, 16 bytes long.
 Data: <&#224; q &#246;           > E0 02 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B9925F260, 16 bytes long.
 Data: <  q &#246;           > 10 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B9925E950, 16 bytes long.
 Data: <p q &#246;           > 70 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B9925F120, 16 bytes long.
 Data: < &#192;o &#246;           > 18 C0 6F 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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