Task 38698712

Name test_710-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1983_1
Workunit 31631032
Created 2 Nov 2026, 23:46:32 UTC
Sent 2 Nov 2026, 23:46:36 UTC
Report deadline 7 Nov 2026, 23:46:36 UTC
Received 3 Nov 2026, 1:49:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 1 hours 28 min 50 sec
CPU time 1 hours 26 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.59 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:20:39 (15772): wrapper (7.9.26016): starting
01:20:39 (15772): 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
01:20:40 (15772): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:20:40 (15772): 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\1\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\1\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
02:48:56 (15772): C:/Windows/system32/cmd.exe exited; CPU time 5184.484375
02:48:56 (15772): 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: 81928431 bytes.
Dumping objects ->
{3835231} normal block at 0x0000019414CF8E10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000019414CF94A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000019414CF9660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000019414CF8F60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000019414CF9970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x000001941694AE10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000019414D2DDD0, 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) : {3835142} normal block at 0x0000019414CCE0D0, 8 bytes long.
 Data: <  &#166; &#148;   > 00 00 A6 16 94 01 00 00 
{3834545} normal block at 0x0000019414D2D820, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000019414CCDFE0, 8 bytes long.
 Data: < C  &#148;   > 00 43 9D 16 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019414CD10D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019414CC6A20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000019414CD65E0, 16 bytes long.
 Data: <&#232;Z&#205; &#148;           > E8 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019414CD60E0, 16 bytes long.
 Data: <&#192;Z&#205; &#148;           > C0 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019414CCF0A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000019414CD67C0, 16 bytes long.
 Data: < Z&#205; &#148;           > 98 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019414CD6680, 16 bytes long.
 Data: <pZ&#205; &#148;           > 70 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019414CD6450, 16 bytes long.
 Data: <HZ&#205; &#148;           > 48 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019414CD61D0, 16 bytes long.
 Data: < Z&#205; &#148;           > 20 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019414CD3C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000019414CD64F0, 16 bytes long.
 Data: <x&#245;&#203; &#148;           > 78 F5 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019414CCF340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000019414CD6B30, 16 bytes long.
 Data: <P&#245;&#203; &#148;           > 50 F5 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019414CD62C0, 16 bytes long.
 Data: <(&#245;&#203; &#148;           > 28 F5 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019414CD6590, 16 bytes long.
 Data: < &#245;&#203; &#148;           > 00 F5 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019414CD6AE0, 16 bytes long.
 Data: <&#216;&#244;&#203; &#148;           > D8 F4 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019414CD6220, 16 bytes long.
 Data: <&#176;&#244;&#203; &#148;           > B0 F4 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019414CD6270, 16 bytes long.
 Data: < &#244;&#203; &#148;           > 88 F4 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019414CCF2E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000019414CD5E10, 16 bytes long.
 Data: <`&#244;&#203; &#148;           > 60 F4 CB 14 94 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019414CBF460, 320 bytes long.
 Data: < ^&#205; &#148;   &#224;&#242;&#204; &#148;   > 10 5E CD 14 94 01 00 00 E0 F2 CC 14 94 01 00 00 
{277} normal block at 0x0000019414CD6360, 16 bytes long.
 Data: < Z&#205; &#148;           > 00 5A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019414CD66D0, 16 bytes long.
 Data: <&#216;Y&#205; &#148;           > D8 59 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019414CCF4C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000019414CD5EB0, 16 bytes long.
 Data: <&#176;Y&#205; &#148;           > B0 59 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019414CCF160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000019414CD6A40, 16 bytes long.
 Data: <&#248;X&#205; &#148;           > F8 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019414CD6310, 16 bytes long.
 Data: <&#208;X&#205; &#148;           > D0 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019414CD63B0, 16 bytes long.
 Data: <&#168;X&#205; &#148;           > A8 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019414CD5FF0, 16 bytes long.
 Data: < X&#205; &#148;           > 80 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019414CD6770, 16 bytes long.
 Data: <XX&#205; &#148;           > 58 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019414CCD5E0, 16 bytes long.
 Data: <0X&#205; &#148;           > 30 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019414CCE440, 16 bytes long.
 Data: <&#160;<&#205; &#148;           > A0 3C CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019414CD3CA0, 40 bytes long.
 Data: <@&#228;&#204; &#148;    &#174;&#148; &#148;   > 40 E4 CC 14 94 01 00 00 10 AE 94 16 94 01 00 00 
{263} normal block at 0x0000019414CCE170, 16 bytes long.
 Data: < X&#205; &#148;           > 10 58 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019414CCDF40, 16 bytes long.
 Data: <&#232;W&#205; &#148;           > E8 57 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019414CCF520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000019414CCE080, 16 bytes long.
 Data: <&#192;W&#205; &#148;           > C0 57 CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019414CD57C0, 992 bytes long.
 Data: < &#224;&#204; &#148;    &#245;&#204; &#148;   > 80 E0 CC 14 94 01 00 00 20 F5 CC 14 94 01 00 00 
{95} normal block at 0x0000019414CCEF20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000019414CCD9A0, 16 bytes long.
 Data: <p:&#205; &#148;           > 70 3A CD 14 94 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019414CD3A70, 40 bytes long.
 Data: <&#160;&#217;&#204; &#148;    &#239;&#204; &#148;   > A0 D9 CC 14 94 01 00 00 20 EF CC 14 94 01 00 00 
{72} normal block at 0x0000019414CCDB30, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019414CCD9F0, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019414CCD720, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019414CCDC20, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019414CCDF90, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019414CCDBD0, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019414CCD770, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019414CCD810, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019414CCE2B0, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019414CCD540, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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