Task 38661204

Name test_179-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND6332_2
Workunit 31604210
Created 24 Oct 2026, 15:22:40 UTC
Sent 24 Oct 2026, 15:28:53 UTC
Report deadline 29 Oct 2026, 15:28:53 UTC
Received 24 Oct 2026, 16:42:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 43 min 3 sec
CPU time 43 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.27 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:51:43 (19872): wrapper (7.9.26016): starting
08:51:43 (19872): 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
08:51:47 (19872): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:51:47 (19872): 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\4\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\4\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
09:38:00 (19872): C:/Windows/system32/cmd.exe exited; CPU time 2583.890625
09:38:00 (19872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 38243499 bytes.
Dumping objects ->
{3835240} normal block at 0x00000130CD9E4E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000130CD9E4D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000130CD9E4F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000130CD9E4D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000130CD9E4BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x00000130CF76AF00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000130CDA0A920, 155 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) : {3835151} normal block at 0x00000130CD9DEE60, 8 bytes long.
 Data: <  &#233;&#205;0   > 00 00 E9 CD 30 01 00 00 
{3834548} normal block at 0x00000130CDA0AAE0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000130CD9DF400, 8 bytes long.
 Data: <`&#130;u&#207;0   > 60 82 75 CF 30 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000130CD9E10B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000130CD9D60B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000130CD9E5CA0, 16 bytes long.
 Data: <8j&#158;&#205;0           > 38 6A 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000130CD9E5A20, 16 bytes long.
 Data: < j&#158;&#205;0           > 10 6A 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000130CD9E0780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000130CD9E5A70, 16 bytes long.
 Data: <&#232;i&#158;&#205;0           > E8 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000130CD9E59D0, 16 bytes long.
 Data: <&#192;i&#158;&#205;0           > C0 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000130CD9E5BB0, 16 bytes long.
 Data: < i&#158;&#205;0           > 98 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000130CD9E6100, 16 bytes long.
 Data: <pi&#158;&#205;0           > 70 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000130CD9E5020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000130CD9E5C50, 16 bytes long.
 Data: <&#232;  &#205;0           > E8 90 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000130CD9DFDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000130CD9E5E80, 16 bytes long.
 Data: <&#192;  &#205;0           > C0 90 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000130CD9E5E30, 16 bytes long.
 Data: <   &#205;0           > 98 90 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000130CD9E6060, 16 bytes long.
 Data: <p  &#205;0           > 70 90 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000130CD9E5B60, 16 bytes long.
 Data: <H  &#205;0           > 48 90 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000130CD9E5FC0, 16 bytes long.
 Data: <   &#205;0           > 20 90 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000130CD9E62E0, 16 bytes long.
 Data: <&#248;  &#205;0           > F8 8F 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000130CD9DFD00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000130CD9E5F70, 16 bytes long.
 Data: <&#208;  &#205;0           > D0 8F 9D CD 30 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000130CD9D8FD0, 320 bytes long.
 Data: <p_&#158;&#205;0    &#253; &#205;0   > 70 5F 9E CD 30 01 00 00 00 FD 9D CD 30 01 00 00 
{274} normal block at 0x00000130CD9E61A0, 16 bytes long.
 Data: <Pi&#158;&#205;0           > 50 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000130CD9E5980, 16 bytes long.
 Data: <(i&#158;&#205;0           > 28 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000130CD9E0960, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000130CD9E5F20, 16 bytes long.
 Data: < i&#158;&#205;0           > 00 69 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000130CD9E03C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000130CD9E5890, 16 bytes long.
 Data: <Hh&#158;&#205;0           > 48 68 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000130CD9E6150, 16 bytes long.
 Data: < h&#158;&#205;0           > 20 68 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000130CD9E5930, 16 bytes long.
 Data: <&#248;g&#158;&#205;0           > F8 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000130CD9E6600, 16 bytes long.
 Data: <&#208;g&#158;&#205;0           > D0 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000130CD9E65B0, 16 bytes long.
 Data: <&#168;g&#158;&#205;0           > A8 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000130CD9E5AC0, 16 bytes long.
 Data: < g&#158;&#205;0           > 80 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000130CD9E58E0, 16 bytes long.
 Data: <0L&#158;&#205;0           > 30 4C 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000130CD9E4C30, 40 bytes long.
 Data: <&#224;X&#158;&#205;0    &#175;v&#207;0   > E0 58 9E CD 30 01 00 00 00 AF 76 CF 30 01 00 00 
{260} normal block at 0x00000130CD9E6560, 16 bytes long.
 Data: <`g&#158;&#205;0           > 60 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000130CD9E64C0, 16 bytes long.
 Data: <8g&#158;&#205;0           > 38 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000130CD9E0360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000130CD9E5B10, 16 bytes long.
 Data: < g&#158;&#205;0           > 10 67 9E CD 30 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000130CD9E6710, 992 bytes long.
 Data: < [&#158;&#205;0   ` &#158;&#205;0   > 10 5B 9E CD 30 01 00 00 60 03 9E CD 30 01 00 00 
{92} normal block at 0x00000130CD9DFC40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000130CD9DF5E0, 16 bytes long.
 Data: <&#176;&#199;&#156;&#205;0           > B0 C7 9C CD 30 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000130CD9CC7B0, 40 bytes long.
 Data: <&#224;&#245; &#205;0   @&#252; &#205;0   > E0 F5 9D CD 30 01 00 00 40 FC 9D CD 30 01 00 00 
{69} normal block at 0x00000130CD9DED20, 16 bytes long.
 Data: < &#234;}{&#246;           > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000130CD9DEEB0, 16 bytes long.
 Data: <@&#233;}{&#246;           > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000130CD9DEC80, 16 bytes long.
 Data: <&#248;Wz{&#246;           > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000130CD9DF7C0, 16 bytes long.
 Data: <&#216;Wz{&#246;           > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000130CD9DF090, 16 bytes long.
 Data: <P z{&#246;           > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000130CD9DF3B0, 16 bytes long.
 Data: <0 z{&#246;           > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000130CD9DEF00, 16 bytes long.
 Data: <&#224; z{&#246;           > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000130CD9DEB90, 16 bytes long.
 Data: <  z{&#246;           > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000130CD9DEE10, 16 bytes long.
 Data: <p z{&#246;           > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000130CD9DF770, 16 bytes long.
 Data: < &#192;x{&#246;           > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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