Task 38685291

Name test_772-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3966_0
Workunit 31626766
Created 27 Oct 2026, 20:20:45 UTC
Sent 27 Oct 2026, 20:20:49 UTC
Report deadline 1 Nov 2026, 20:20:49 UTC
Received 27 Oct 2026, 23:13:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 44 min 34 sec
CPU time 42 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.46 MB
Peak swap size 3.76 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
23:28:10 (11864): wrapper (7.9.26016): starting
23:28:10 (11864): 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
23:28:11 (11864): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:28:11 (11864): 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
00:12:23 (11864): C:/Windows/system32/cmd.exe exited; CPU time 2573.171875
00:12:23 (11864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 36790823 bytes.
Dumping objects ->
{3835361} normal block at 0x0000015F2AE51090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000015F2AE516B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x0000015F2AE50BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x0000015F2AE507D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x0000015F2AE50E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x0000015F2AF54890, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000015F294EFB20, 141 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) : {3835272} normal block at 0x0000015F294974C0, 8 bytes long.
 Data: <  E)_   > 00 00 45 29 5F 01 00 00 
{3834603} normal block at 0x0000015F294EDF80, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000015F29497150, 8 bytes long.
 Data: <@6&#251;*_   > 40 36 FB 2A 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000015F294A1FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015F29486020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000015F294A3060, 16 bytes long.
 Data: <HCJ)_           > 48 43 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015F294A3FB0, 16 bytes long.
 Data: < CJ)_           > 20 43 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015F2949C4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000015F294A3F60, 16 bytes long.
 Data: <&#248;BJ)_           > F8 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015F294A3600, 16 bytes long.
 Data: <&#208;BJ)_           > D0 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015F294A3F10, 16 bytes long.
 Data: <&#168;BJ)_           > A8 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015F294A3E70, 16 bytes long.
 Data: < BJ)_           > 80 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015F2949DB20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000015F294A35B0, 16 bytes long.
 Data: <&#184;_H)_           > B8 5F 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015F2949BFD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000015F294A3E20, 16 bytes long.
 Data: < _H)_           > 90 5F 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015F294A3B50, 16 bytes long.
 Data: <h_H)_           > 68 5F 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015F294A3CE0, 16 bytes long.
 Data: <@_H)_           > 40 5F 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015F294A3EC0, 16 bytes long.
 Data: < _H)_           > 18 5F 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015F294A3420, 16 bytes long.
 Data: <&#240;^H)_           > F0 5E 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015F294A3830, 16 bytes long.
 Data: <&#200;^H)_           > C8 5E 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015F2949CA50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000015F294A3D30, 16 bytes long.
 Data: <&#160;^H)_           > A0 5E 48 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015F29485EA0, 320 bytes long.
 Data: <0=J)_   P&#202;I)_   > 30 3D 4A 29 5F 01 00 00 50 CA 49 29 5F 01 00 00 
{271} normal block at 0x0000015F294A3240, 16 bytes long.
 Data: <`BJ)_           > 60 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015F294A3B00, 16 bytes long.
 Data: <8BJ)_           > 38 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015F2949BF70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000015F294A34C0, 16 bytes long.
 Data: < BJ)_           > 10 42 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015F2949C5D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000015F294A3AB0, 16 bytes long.
 Data: <XAJ)_           > 58 41 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015F294A33D0, 16 bytes long.
 Data: <0AJ)_           > 30 41 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015F294A3C90, 16 bytes long.
 Data: < AJ)_           > 08 41 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015F294A36F0, 16 bytes long.
 Data: <&#224;@J)_           > E0 40 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015F294A3150, 16 bytes long.
 Data: <&#184;@J)_           > B8 40 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015F294A3A60, 16 bytes long.
 Data: < @J)_           > 90 40 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015F294A3970, 16 bytes long.
 Data: <`&#217;I)_           > 60 D9 49 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015F2949D960, 40 bytes long.
 Data: <p9J)_    H&#245;*_   > 70 39 4A 29 5F 01 00 00 90 48 F5 2A 5F 01 00 00 
{257} normal block at 0x0000015F294A3920, 16 bytes long.
 Data: <p@J)_           > 70 40 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015F294A3560, 16 bytes long.
 Data: <H@J)_           > 48 40 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015F2949CAB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000015F294A3740, 16 bytes long.
 Data: < @J)_           > 20 40 4A 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015F294A4020, 992 bytes long.
 Data: <@7J)_   &#176;&#202;I)_   > 40 37 4A 29 5F 01 00 00 B0 CA 49 29 5F 01 00 00 
{89} normal block at 0x0000015F2949BF10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000015F29497C40, 16 bytes long.
 Data: <&#192;&#221;I)_           > C0 DD 49 29 5F 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000015F2949DDC0, 40 bytes long.
 Data: <@|I)_    &#191;I)_   > 40 7C 49 29 5F 01 00 00 10 BF 49 29 5F 01 00 00 
{66} normal block at 0x0000015F294970B0, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015F29497060, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015F29497D80, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015F29497BF0, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015F29497A10, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015F29497CE0, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015F29497BA0, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015F29497D30, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015F29497650, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015F294971A0, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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