Task 38682090

Name test_777-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6019_0
Workunit 31623724
Created 27 Oct 2026, 6:32:02 UTC
Sent 27 Oct 2026, 6:32:08 UTC
Report deadline 1 Nov 2026, 6:32:08 UTC
Received 27 Oct 2026, 9:51:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 574909
Run time 2 hours 46 min 47 sec
CPU time 2 hours 44 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.34 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:05:50 (7832): wrapper (7.9.26016): starting
02:05:50 (7832): 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
02:05:52 (7832): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:05:52 (7832): 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
04:51:09 (7832): C:/Windows/system32/cmd.exe exited; CPU time 9850.328125
04:51:09 (7832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 159340449 bytes.
Dumping objects ->
{3835202} normal block at 0x000001477A2416F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001477A1F4F00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000001477A1F4E90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x000001477A1F4E20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001477A1F4D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x000001477BEA4B10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835114} normal block at 0x000001477A1EE0A0, 8 bytes long.
 Data: <   zG   > 00 00 80 7A 47 01 00 00 
{3833965} normal block at 0x000001477A1EE050, 8 bytes long.
 Data: < K&#243;{G   > 80 4B F3 7B 47 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001477A1F1790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001477A1E6840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001477A1F6010, 16 bytes long.
 Data: <&#200;k zG           > C8 6B 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001477A1F6740, 16 bytes long.
 Data: <&#160;k zG           > A0 6B 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001477A1EF880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001477A1F66F0, 16 bytes long.
 Data: <xk zG           > 78 6B 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001477A1F5E80, 16 bytes long.
 Data: <Pk zG           > 50 6B 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001477A1F67E0, 16 bytes long.
 Data: <(k zG           > 28 6B 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001477A1F5FC0, 16 bytes long.
 Data: < k zG           > 00 6B 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001477A1F4DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001477A1F5BB0, 16 bytes long.
 Data: < &#246; zG           > 08 F6 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001477A1EF400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001477A1F5B60, 16 bytes long.
 Data: <&#224;&#245; zG           > E0 F5 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001477A1F5B10, 16 bytes long.
 Data: <&#184;&#245; zG           > B8 F5 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001477A1F5AC0, 16 bytes long.
 Data: < &#245; zG           > 90 F5 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001477A1F5F70, 16 bytes long.
 Data: <h&#245; zG           > 68 F5 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001477A1F5C00, 16 bytes long.
 Data: <@&#245; zG           > 40 F5 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001477A1F61A0, 16 bytes long.
 Data: < &#245; zG           > 18 F5 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001477A1EFBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001477A1F5CA0, 16 bytes long.
 Data: <&#240;&#244; zG           > F0 F4 1D 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001477A1DF4F0, 320 bytes long.
 Data: <&#160;\ zG   &#224;&#251; zG   > A0 5C 1F 7A 47 01 00 00 E0 FB 1E 7A 47 01 00 00 
{278} normal block at 0x000001477A1F6100, 16 bytes long.
 Data: <&#224;j zG           > E0 6A 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001477A1F6790, 16 bytes long.
 Data: <&#184;j zG           > B8 6A 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001477A1EF760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001477A1F59D0, 16 bytes long.
 Data: < j zG           > 90 6A 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001477A1EF8E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001477A1F5C50, 16 bytes long.
 Data: <&#216;i zG           > D8 69 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001477A1F6560, 16 bytes long.
 Data: <&#176;i zG           > B0 69 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001477A1F5E30, 16 bytes long.
 Data: < i zG           > 88 69 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001477A1F5DE0, 16 bytes long.
 Data: <`i zG           > 60 69 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001477A1F5D90, 16 bytes long.
 Data: <8i zG           > 38 69 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001477A1F5A70, 16 bytes long.
 Data: < i zG           > 10 69 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001477A1F6510, 16 bytes long.
 Data: <&#224;O zG           > E0 4F 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001477A1F4FE0, 40 bytes long.
 Data: < e zG    K&#234;{G   > 10 65 1F 7A 47 01 00 00 10 4B EA 7B 47 01 00 00 
{264} normal block at 0x000001477A1F5A20, 16 bytes long.
 Data: <&#240;h zG           > F0 68 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001477A1F6330, 16 bytes long.
 Data: <&#200;h zG           > C8 68 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001477A1EF5E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001477A1F5F20, 16 bytes long.
 Data: <&#160;h zG           > A0 68 1F 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001477A1F68A0, 992 bytes long.
 Data: < _ zG   &#224;&#245; zG   > 20 5F 1F 7A 47 01 00 00 E0 F5 1E 7A 47 01 00 00 
{96} normal block at 0x000001477A1EF340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001477A1ED7E0, 16 bytes long.
 Data: < &#237; zG           > 10 ED 1E 7A 47 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001477A1EED10, 40 bytes long.
 Data: <&#224;&#215; zG   @&#243; zG   > E0 D7 1E 7A 47 01 00 00 40 F3 1E 7A 47 01 00 00 
{73} normal block at 0x000001477A1ED6A0, 16 bytes long.
 Data: < &#234; &#248;&#246;           > 80 EA 15 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001477A1EDDD0, 16 bytes long.
 Data: <@&#233; &#248;&#246;           > 40 E9 15 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001477A1ED790, 16 bytes long.
 Data: <&#248;W &#248;&#246;           > F8 57 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001477A1EE000, 16 bytes long.
 Data: <&#216;W &#248;&#246;           > D8 57 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001477A1ED6F0, 16 bytes long.
 Data: <P  &#248;&#246;           > 50 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001477A1EE410, 16 bytes long.
 Data: <0  &#248;&#246;           > 30 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001477A1EDD30, 16 bytes long.
 Data: <&#224;  &#248;&#246;           > E0 02 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001477A1ED8D0, 16 bytes long.
 Data: <   &#248;&#246;           > 10 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001477A1ED650, 16 bytes long.
 Data: <p  &#248;&#246;           > 70 04 12 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001477A1EE320, 16 bytes long.
 Data: < &#192; &#248;&#246;           > 18 C0 10 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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