Task 38680280

Name test_169-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5535_0
Workunit 31622006
Created 26 Oct 2026, 23:25:12 UTC
Sent 26 Oct 2026, 23:25:14 UTC
Report deadline 31 Oct 2026, 23:25:14 UTC
Received 27 Oct 2026, 0:30:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 23 min 1 sec
CPU time 21 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.45 MB
Peak swap size 10.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:08:02 (9868): wrapper (7.9.26016): starting
02:08:02 (9868): 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
02:08:04 (9868): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:08:04 (9868): 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
02:30:16 (9868): C:/Windows/system32/cmd.exe exited; CPU time 1272.625000
02:30:16 (9868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20600859 bytes.
Dumping objects ->
{3835317} normal block at 0x0000019BDE745980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x0000019BDE746010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000019BDE745FA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x0000019BDE745910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000019BDE745F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x0000019BE0537110, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000019BE054F7F0, 102 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) : {3835228} normal block at 0x0000019BDE73EDC0, 8 bytes long.
 Data: <  &#199;&#222;&#155;   > 00 00 C7 DE 9B 01 00 00 
{3834592} normal block at 0x0000019BE054F8A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000019BDE73EB40, 8 bytes long.
 Data: <`&#234; &#222;&#155;   > 60 EA 81 DE 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000019BDE742010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000019BDE736BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000019BDE746DF0, 16 bytes long.
 Data: <&#232;vt&#222;&#155;           > E8 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019BDE7461C0, 16 bytes long.
 Data: <&#192;vt&#222;&#155;           > C0 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019BDE740480, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000019BDE746170, 16 bytes long.
 Data: < vt&#222;&#155;           > 98 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019BDE746B20, 16 bytes long.
 Data: <pvt&#222;&#155;           > 70 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019BDE747020, 16 bytes long.
 Data: <Hvt&#222;&#155;           > 48 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019BDE746A80, 16 bytes long.
 Data: < vt&#222;&#155;           > 20 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019BDE745E50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000019BDE746F80, 16 bytes long.
 Data: <H&#235;r&#222;&#155;           > 48 EB 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019BDE73FFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000019BDE7465D0, 16 bytes long.
 Data: < &#235;r&#222;&#155;           > 20 EB 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019BDE746120, 16 bytes long.
 Data: <&#248;&#234;r&#222;&#155;           > F8 EA 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019BDE746F30, 16 bytes long.
 Data: <&#208;&#234;r&#222;&#155;           > D0 EA 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019BDE7467B0, 16 bytes long.
 Data: <&#168;&#234;r&#222;&#155;           > A8 EA 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019BDE746A30, 16 bytes long.
 Data: < &#234;r&#222;&#155;           > 80 EA 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019BDE746BC0, 16 bytes long.
 Data: <X&#234;r&#222;&#155;           > 58 EA 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019BDE740900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000019BDE746300, 16 bytes long.
 Data: <0&#234;r&#222;&#155;           > 30 EA 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019BDE72EA30, 320 bytes long.
 Data: < ct&#222;&#155;    	t&#222;&#155;   > 00 63 74 DE 9B 01 00 00 00 09 74 DE 9B 01 00 00 
{280} normal block at 0x0000019BDE746DA0, 16 bytes long.
 Data: < vt&#222;&#155;           > 00 76 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019BDE7464E0, 16 bytes long.
 Data: <&#216;ut&#222;&#155;           > D8 75 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019BDE740720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000019BDE746AD0, 16 bytes long.
 Data: <&#176;ut&#222;&#155;           > B0 75 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019BDE73FF40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000019BDE746FD0, 16 bytes long.
 Data: <&#248;tt&#222;&#155;           > F8 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019BDE746760, 16 bytes long.
 Data: <&#208;tt&#222;&#155;           > D0 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019BDE7469E0, 16 bytes long.
 Data: <&#168;tt&#222;&#155;           > A8 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019BDE746D50, 16 bytes long.
 Data: < tt&#222;&#155;           > 80 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019BDE746260, 16 bytes long.
 Data: <Xtt&#222;&#155;           > 58 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019BDE746580, 16 bytes long.
 Data: <0tt&#222;&#155;           > 30 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019BDE746710, 16 bytes long.
 Data: <&#208;Zt&#222;&#155;           > D0 5A 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019BDE745AD0, 40 bytes long.
 Data: < gt&#222;&#155;    qS&#224;&#155;   > 10 67 74 DE 9B 01 00 00 10 71 53 E0 9B 01 00 00 
{266} normal block at 0x0000019BDE746D00, 16 bytes long.
 Data: < tt&#222;&#155;           > 10 74 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019BDE7463A0, 16 bytes long.
 Data: <&#232;st&#222;&#155;           > E8 73 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019BDE7401E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000019BDE746800, 16 bytes long.
 Data: <&#192;st&#222;&#155;           > C0 73 74 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019BDE7473C0, 992 bytes long.
 Data: < ht&#222;&#155;   &#224; t&#222;&#155;   > 00 68 74 DE 9B 01 00 00 E0 01 74 DE 9B 01 00 00 
{98} normal block at 0x0000019BDE73FEE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000019BDE73EAF0, 16 bytes long.
 Data: < &#198;r&#222;&#155;           > 20 C6 72 DE 9B 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000019BDE72C620, 40 bytes long.
 Data: <&#240;&#234;s&#222;&#155;   &#224;&#254;s&#222;&#155;   > F0 EA 73 DE 9B 01 00 00 E0 FE 73 DE 9B 01 00 00 
{75} normal block at 0x0000019BDE73E320, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019BDE73EB90, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000019BDE73EA50, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019BDE73E000, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019BDE73E410, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019BDE73E640, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019BDE73ED20, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019BDE73EEB0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019BDE73E690, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019BDE73E9B0, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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