Task 38698846

Name test_437-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2056_1
Workunit 31639316
Created 3 Nov 2026, 4:38:53 UTC
Sent 3 Nov 2026, 4:38:59 UTC
Report deadline 8 Nov 2026, 4:38:59 UTC
Received 3 Nov 2026, 6:19:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651346
Run time 30 min 35 sec
CPU time 24 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.25 MB
Peak swap size 12.96 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:46:16 (9044): wrapper (7.9.26016): starting
23:46:16 (9044): 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
23:46:17 (9044): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:46:17 (9044): 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\14\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\14\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
00:15:54 (9044): C:/Windows/system32/cmd.exe exited; CPU time 1444.609375
00:15:54 (9044): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 26402589 bytes.
Dumping objects ->
{3835573} normal block at 0x000002743A4F3F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835562} normal block at 0x000002743A4F3ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x000002743A4F4020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835540} normal block at 0x000002743A4F3D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000002743A4F3E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835498} normal block at 0x000002743C28AD70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000002743A4F42F0, 235 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) : {3835484} normal block at 0x000002743A4EED00, 8 bytes long.
 Data: <  &#142;:t   > 00 00 8E 3A 74 02 00 00 
{3834707} normal block at 0x000002743A4F4420, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002743A4EEDA0, 8 bytes long.
 Data: <&#240;4.<t   > F0 34 2E 3C 74 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002743A4F10E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002743A4E5C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002743A4F49E0, 16 bytes long.
 Data: <&#168;]O:t           > A8 5D 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002743A4F53E0, 16 bytes long.
 Data: < ]O:t           > 80 5D 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002743A4EFF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002743A4F4BC0, 16 bytes long.
 Data: <X]O:t           > 58 5D 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002743A4F4710, 16 bytes long.
 Data: <0]O:t           > 30 5D 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002743A4F4990, 16 bytes long.
 Data: < ]O:t           > 08 5D 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002743A4F4F80, 16 bytes long.
 Data: <&#224;\O:t           > E0 5C 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002743A4DE460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002743A4F5390, 16 bytes long.
 Data: <&#200;&#241;M:t           > C8 F1 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002743A4EF370, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002743A4F5250, 16 bytes long.
 Data: <&#160;&#241;M:t           > A0 F1 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002743A4F4EE0, 16 bytes long.
 Data: <x&#241;M:t           > 78 F1 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002743A4F48F0, 16 bytes long.
 Data: <P&#241;M:t           > 50 F1 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002743A4F5020, 16 bytes long.
 Data: <(&#241;M:t           > 28 F1 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002743A4F4CB0, 16 bytes long.
 Data: < &#241;M:t           > 00 F1 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002743A4F4E90, 16 bytes long.
 Data: <&#216;&#240;M:t           > D8 F0 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002743A4EFDF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002743A4F4E40, 16 bytes long.
 Data: <&#176;&#240;M:t           > B0 F0 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002743A4DF0B0, 320 bytes long.
 Data: <@NO:t   &#240;&#253;N:t   > 40 4E 4F 3A 74 02 00 00 F0 FD 4E 3A 74 02 00 00 
{275} normal block at 0x000002743A4F4C60, 16 bytes long.
 Data: <&#192;\O:t           > C0 5C 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002743A4F5340, 16 bytes long.
 Data: < \O:t           > 98 5C 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002743A4EF5B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002743A4F46C0, 16 bytes long.
 Data: <p\O:t           > 70 5C 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002743A4EFD30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002743A4F5610, 16 bytes long.
 Data: <&#184;[O:t           > B8 5B 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002743A4F51B0, 16 bytes long.
 Data: < [O:t           > 90 5B 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002743A4F5520, 16 bytes long.
 Data: <h[O:t           > 68 5B 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002743A4F4F30, 16 bytes long.
 Data: <@[O:t           > 40 5B 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002743A4F52F0, 16 bytes long.
 Data: < [O:t           > 18 5B 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002743A4F4DF0, 16 bytes long.
 Data: <&#240;ZO:t           > F0 5A 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002743A4F4DA0, 16 bytes long.
 Data: < &#192;M:t           > 10 C0 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002743A4DC010, 40 bytes long.
 Data: <&#160;MO:t   p&#173;(<t   > A0 4D 4F 3A 74 02 00 00 70 AD 28 3C 74 02 00 00 
{261} normal block at 0x000002743A4F4B70, 16 bytes long.
 Data: <&#208;ZO:t           > D0 5A 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002743A4F55C0, 16 bytes long.
 Data: <&#168;ZO:t           > A8 5A 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002743A4EF610, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002743A4F48A0, 16 bytes long.
 Data: < ZO:t           > 80 5A 4F 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002743A4F5A80, 992 bytes long.
 Data: <&#160;HO:t    &#246;N:t   > A0 48 4F 3A 74 02 00 00 10 F6 4E 3A 74 02 00 00 
{93} normal block at 0x000002743A4EFF10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002743A4EE4E0, 16 bytes long.
 Data: <&#176;&#237;M:t           > B0 ED 4D 3A 74 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002743A4DEDB0, 40 bytes long.
 Data: <&#224;&#228;N:t    &#255;N:t   > E0 E4 4E 3A 74 02 00 00 10 FF 4E 3A 74 02 00 00 
{70} normal block at 0x000002743A4EE580, 16 bytes long.
 Data: < &#234;&#251;u&#246;           > 80 EA FB 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002743A4EE5D0, 16 bytes long.
 Data: <@&#233;&#251;u&#246;           > 40 E9 FB 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002743A4EEE90, 16 bytes long.
 Data: <&#248;W&#248;u&#246;           > F8 57 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002743A4EEF30, 16 bytes long.
 Data: <&#216;W&#248;u&#246;           > D8 57 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002743A4EE7B0, 16 bytes long.
 Data: <P &#248;u&#246;           > 50 04 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002743A4EEAD0, 16 bytes long.
 Data: <0 &#248;u&#246;           > 30 04 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002743A4EECB0, 16 bytes long.
 Data: <&#224; &#248;u&#246;           > E0 02 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002743A4EEE40, 16 bytes long.
 Data: <  &#248;u&#246;           > 10 04 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002743A4EEDF0, 16 bytes long.
 Data: <p &#248;u&#246;           > 70 04 F8 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002743A4EEC60, 16 bytes long.
 Data: < &#192;&#246;u&#246;           > 18 C0 F6 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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