Task 38675875

Name test_36-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7385_0
Workunit 31617823
Created 26 Oct 2026, 9:35:44 UTC
Sent 26 Oct 2026, 9:35:56 UTC
Report deadline 31 Oct 2026, 9:35:56 UTC
Received 26 Oct 2026, 10:21:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 24 sec
CPU time 14 min 38 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 767.66 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>
11:06:51 (53336): wrapper (7.9.26016): starting
11:06:51 (53336): 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
11:06:52 (53336): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:06:52 (53336): 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
11:21:41 (53336): C:/Windows/system32/cmd.exe exited; CPU time 878.265625
11:21:41 (53336): 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: 21278488 bytes.
Dumping objects ->
{3835546} normal block at 0x0000020217065A60, 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 0x0000020217065670, 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 0x0000020217065600, 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 0x00000202170659F0, 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 0x0000020217065590, 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 0x0000020218E15130, 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 0x0000020218E2D990, 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 0x000002021705F790, 8 bytes long.
 Data: <  D     > 00 00 44 17 02 02 00 00 
{3834685} normal block at 0x0000020218E2E070, 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 0x000002021705F560, 8 bytes long.
 Data: <&#208;J&#231;     > D0 4A E7 18 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020217061030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002021704E140, 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 0x0000020217066A50, 16 bytes long.
 Data: <&#168;q              > A8 71 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020217066500, 16 bytes long.
 Data: < q              > 80 71 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020217060020, 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 0x0000020217065EC0, 16 bytes long.
 Data: <Xq              > 58 71 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000202170664B0, 16 bytes long.
 Data: <0q              > 30 71 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020217066820, 16 bytes long.
 Data: < q              > 08 71 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000202170661E0, 16 bytes long.
 Data: <&#224;p              > E0 70 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000202170654B0, 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 0x0000020217066050, 16 bytes long.
 Data: <&#232;&#237;              > E8 ED 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020217060740, 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 0x0000020217066AF0, 16 bytes long.
 Data: <&#192;&#237;              > C0 ED 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020217065FB0, 16 bytes long.
 Data: < &#237;              > 98 ED 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000202170665A0, 16 bytes long.
 Data: <p&#237;              > 70 ED 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020217066D70, 16 bytes long.
 Data: <H&#237;              > 48 ED 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020217066190, 16 bytes long.
 Data: < &#237;              > 20 ED 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020217066C30, 16 bytes long.
 Data: <&#248;&#236;              > F8 EC 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020217060920, 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 0x0000020217066410, 16 bytes long.
 Data: <&#208;&#236;              > D0 EC 05 17 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002021705ECD0, 320 bytes long.
 Data: < d       	      > 10 64 06 17 02 02 00 00 20 09 06 17 02 02 00 00 
{276} normal block at 0x0000020217066550, 16 bytes long.
 Data: <&#192;p              > C0 70 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020217066A00, 16 bytes long.
 Data: < p              > 98 70 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020217060CE0, 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 0x00000202170660F0, 16 bytes long.
 Data: <pp              > 70 70 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020217060140, 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 0x00000202170660A0, 16 bytes long.
 Data: <&#184;o              > B8 6F 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020217066370, 16 bytes long.
 Data: < o              > 90 6F 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020217066460, 16 bytes long.
 Data: <ho              > 68 6F 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000202170668C0, 16 bytes long.
 Data: <@o              > 40 6F 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000202170669B0, 16 bytes long.
 Data: < o              > 18 6F 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020217066140, 16 bytes long.
 Data: <&#240;n              > F0 6E 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020217066640, 16 bytes long.
 Data: <&#224;V              > E0 56 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000202170656E0, 40 bytes long.
 Data: <@f      0Q&#225;     > 40 66 06 17 02 02 00 00 30 51 E1 18 02 02 00 00 
{262} normal block at 0x0000020217066960, 16 bytes long.
 Data: <&#208;n              > D0 6E 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000202170665F0, 16 bytes long.
 Data: <&#168;n              > A8 6E 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020217060F20, 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 0x0000020217065F10, 16 bytes long.
 Data: < n              > 80 6E 06 17 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020217066E80, 992 bytes long.
 Data: < _              > 10 5F 06 17 02 02 00 00 20 0F 06 17 02 02 00 00 
{94} normal block at 0x0000020217060980, 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 0x000002021705FBA0, 16 bytes long.
 Data: <P&#198;              > 50 C6 04 17 02 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002021704C650, 40 bytes long.
 Data: <&#160;&#251;       	      > A0 FB 05 17 02 02 00 00 80 09 06 17 02 02 00 00 
{71} normal block at 0x000002021705F240, 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 0x000002021705F1A0, 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 0x000002021705F7E0, 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 0x000002021705FC90, 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 0x000002021705F880, 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 0x000002021705F150, 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 0x000002021705F740, 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 0x000002021705FF10, 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 0x000002021705F2E0, 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 0x000002021705FDD0, 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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