Task 38686995

Name test_195-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7941_0
Workunit 31628401
Created 28 Oct 2026, 5:25:02 UTC
Sent 28 Oct 2026, 5:25:10 UTC
Report deadline 2 Nov 2026, 5:25:10 UTC
Received 28 Oct 2026, 5:58:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min
CPU time 29 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.96 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:27:48 (69000): wrapper (7.9.26016): starting
01:27:48 (69000): 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
01:27:49 (69000): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:27:49 (69000): 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
01:57:53 (69000): C:/Windows/system32/cmd.exe exited; CPU time 1797.156250
01:57:53 (69000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 56563707 bytes.
Dumping objects ->
{3835426} normal block at 0x0000028F4C0A15D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x0000028F4C0A0CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x0000028F4C0A12C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x0000028F4C0A0AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x0000028F4C0A0D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x0000028F4A41FA70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x0000028F4A461930, 140 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) : {3835337} normal block at 0x0000028F4A3EBC50, 8 bytes long.
 Data: <  &#216;K    > 00 00 D8 4B 8F 02 00 00 
{3834683} normal block at 0x0000028F4A461BA0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x0000028F4A3EBC00, 8 bytes long.
 Data: <&#224;SBJ    > E0 53 42 4A 8F 02 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x0000028F4A3FB450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x0000028F4A3DD830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x0000028F4A3F93A0, 16 bytes long.
 Data: < &#166;?J            > 88 A6 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x0000028F4A3F9EE0, 16 bytes long.
 Data: <`&#166;?J            > 60 A6 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x0000028F4A3F8250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x0000028F4A3F9D50, 16 bytes long.
 Data: <8&#166;?J            > 38 A6 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x0000028F4A3F9670, 16 bytes long.
 Data: < &#166;?J            > 10 A6 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x0000028F4A3F9990, 16 bytes long.
 Data: <&#232;&#165;?J            > E8 A5 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x0000028F4A3F97B0, 16 bytes long.
 Data: <&#192;&#165;?J            > C0 A5 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x0000028F4A3F7340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x0000028F4A3F9B20, 16 bytes long.
 Data: <&#184;&#160;?J            > B8 A0 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x0000028F4A3F8790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x0000028F4A3F98A0, 16 bytes long.
 Data: < &#160;?J            > 90 A0 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x0000028F4A3F9D00, 16 bytes long.
 Data: <h&#160;?J            > 68 A0 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x0000028F4A3F9620, 16 bytes long.
 Data: <@&#160;?J            > 40 A0 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x0000028F4A3F9C10, 16 bytes long.
 Data: < &#160;?J            > 18 A0 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x0000028F4A3F9710, 16 bytes long.
 Data: <&#240;&#159;?J            > F0 9F 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x0000028F4A3F9E90, 16 bytes long.
 Data: <&#200;&#159;?J            > C8 9F 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x0000028F4A3F7D10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x0000028F4A3F95D0, 16 bytes long.
 Data: <&#160;&#159;?J            > A0 9F 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000028F4A3F9FA0, 320 bytes long.
 Data: <&#208;&#149;?J     }?J    > D0 95 3F 4A 8F 02 00 00 10 7D 3F 4A 8F 02 00 00 
{313} normal block at 0x0000028F4A3F9CB0, 16 bytes long.
 Data: <&#160;&#165;?J            > A0 A5 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000028F4A3F9B70, 16 bytes long.
 Data: <x&#165;?J            > 78 A5 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000028F4A3F8910, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x0000028F4A3F9350, 16 bytes long.
 Data: <P&#165;?J            > 50 A5 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000028F4A3F88B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x0000028F4A3F9E40, 16 bytes long.
 Data: < &#164;?J            > 98 A4 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000028F4A3F91C0, 16 bytes long.
 Data: <p&#164;?J            > 70 A4 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000028F4A3F9BC0, 16 bytes long.
 Data: <H&#164;?J            > 48 A4 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000028F4A3F94E0, 16 bytes long.
 Data: < &#164;?J            > 20 A4 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000028F4A3F9490, 16 bytes long.
 Data: <&#248;&#163;?J            > F8 A3 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000028F4A3F9170, 16 bytes long.
 Data: <&#208;&#163;?J            > D0 A3 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000028F4A3F9580, 16 bytes long.
 Data: <Pv?J            > 50 76 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028F4A3F7650, 40 bytes long.
 Data: < &#149;?J    p&#250;AJ    > 80 95 3F 4A 8F 02 00 00 70 FA 41 4A 8F 02 00 00 
{299} normal block at 0x0000028F4A3F90D0, 16 bytes long.
 Data: <&#176;&#163;?J            > B0 A3 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028F4A3F9080, 16 bytes long.
 Data: < &#163;?J            > 88 A3 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028F4A3F8730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x0000028F4A3F9300, 16 bytes long.
 Data: <`&#163;?J            > 60 A3 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028F4A3FA360, 992 bytes long.
 Data: < &#147;?J    0&#135;?J    > 00 93 3F 4A 8F 02 00 00 30 87 3F 4A 8F 02 00 00 
{131} normal block at 0x0000028F4A3F86D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x0000028F4A3EB7F0, 16 bytes long.
 Data: <&#240;x?J            > F0 78 3F 4A 8F 02 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x0000028F4A3F78F0, 40 bytes long.
 Data: <&#240;&#183;>J    &#208;&#134;?J    > F0 B7 3E 4A 8F 02 00 00 D0 86 3F 4A 8F 02 00 00 
{108} normal block at 0x0000028F4A3EBBB0, 16 bytes long.
 Data: < &#234;&#251;C&#246;           > 80 EA FB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x0000028F4A3EBDE0, 16 bytes long.
 Data: <@&#233;&#251;C&#246;           > 40 E9 FB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000028F4A3EC2E0, 16 bytes long.
 Data: <&#248;W&#248;C&#246;           > F8 57 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000028F4A3EC290, 16 bytes long.
 Data: <&#216;W&#248;C&#246;           > D8 57 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000028F4A3EC3D0, 16 bytes long.
 Data: <P &#248;C&#246;           > 50 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x0000028F4A3EBD40, 16 bytes long.
 Data: <0 &#248;C&#246;           > 30 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000028F4A3EBB60, 16 bytes long.
 Data: <&#224; &#248;C&#246;           > E0 02 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000028F4A3EB840, 16 bytes long.
 Data: <  &#248;C&#246;           > 10 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000028F4A3EC1A0, 16 bytes long.
 Data: <p &#248;C&#246;           > 70 04 F8 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000028F4A3EC1F0, 16 bytes long.
 Data: < &#192;&#246;C&#246;           > 18 C0 F6 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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