Task 38682765

Name test_549-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1492_0
Workunit 31624360
Created 27 Oct 2026, 9:01:46 UTC
Sent 27 Oct 2026, 9:01:50 UTC
Report deadline 1 Nov 2026, 9:01:50 UTC
Received 27 Oct 2026, 9:24:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 21 min 21 sec
CPU time 18 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.33 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
05:03:54 (36820): wrapper (7.9.26016): starting
05:03:54 (36820): 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
05:03:55 (36820): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:03:55 (36820): 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\6\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\6\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
05:24:19 (36820): C:/Windows/system32/cmd.exe exited; CPU time 1094.828125
05:24:19 (36820): 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: 31629291 bytes.
Dumping objects ->
{3835602} normal block at 0x0000027EC609AA20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x0000027EC6099F30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x0000027EC609A630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x0000027EC43F6E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000027EC43F6DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x0000027EC6049FD0, 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) : {3835514} normal block at 0x0000027EC43EC460, 8 bytes long.
 Data: <  9&#196;~   > 00 00 39 C4 7E 02 00 00 
{3833973} normal block at 0x0000027EC43EBF60, 8 bytes long.
 Data: <&#192;&#233;=&#196;~   > C0 E9 3D C4 7E 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000027EC43F28C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000027EC43E7CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x0000027EC43F78E0, 16 bytes long.
 Data: <8&#138;?&#196;~           > 38 8A 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000027EC43F77A0, 16 bytes long.
 Data: < &#138;?&#196;~           > 10 8A 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027EC43F0910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x0000027EC43F81A0, 16 bytes long.
 Data: <&#232;&#137;?&#196;~           > E8 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027EC43F7D90, 16 bytes long.
 Data: <&#192;&#137;?&#196;~           > C0 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027EC43F7ED0, 16 bytes long.
 Data: < &#137;?&#196;~           > 98 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027EC43F7750, 16 bytes long.
 Data: <p&#137;?&#196;~           > 70 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027EC43F6C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x0000027EC43F7840, 16 bytes long.
 Data: <  >&#196;~           > 18 05 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027EC43F0AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000027EC43F7B10, 16 bytes long.
 Data: <&#240; >&#196;~           > F0 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027EC43F81F0, 16 bytes long.
 Data: <&#200; >&#196;~           > C8 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027EC43F7A70, 16 bytes long.
 Data: <&#160; >&#196;~           > A0 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027EC43F7E80, 16 bytes long.
 Data: <x >&#196;~           > 78 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027EC43F7A20, 16 bytes long.
 Data: <P >&#196;~           > 50 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027EC43F7D40, 16 bytes long.
 Data: <( >&#196;~           > 28 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027EC43F10F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x0000027EC43F80B0, 16 bytes long.
 Data: <  >&#196;~           > 00 04 3E C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027EC43E0400, 320 bytes long.
 Data: <&#176; ?&#196;~   &#240; ?&#196;~   > B0 80 3F C4 7E 02 00 00 F0 10 3F C4 7E 02 00 00 
{282} normal block at 0x0000027EC43F85B0, 16 bytes long.
 Data: <P&#137;?&#196;~           > 50 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027EC43F8290, 16 bytes long.
 Data: <(&#137;?&#196;~           > 28 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027EC43F0E50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000027EC43F8560, 16 bytes long.
 Data: < &#137;?&#196;~           > 00 89 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027EC43F0A90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000027EC43F8600, 16 bytes long.
 Data: <H ?&#196;~           > 48 88 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027EC43F86A0, 16 bytes long.
 Data: <  ?&#196;~           > 20 88 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027EC43F8510, 16 bytes long.
 Data: <&#248;&#135;?&#196;~           > F8 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027EC43F7AC0, 16 bytes long.
 Data: <&#208;&#135;?&#196;~           > D0 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027EC43F8650, 16 bytes long.
 Data: <&#168;&#135;?&#196;~           > A8 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027EC43F7980, 16 bytes long.
 Data: < &#135;?&#196;~           > 80 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027EC43F7CA0, 16 bytes long.
 Data: < i?&#196;~           > 20 69 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027EC43F6920, 40 bytes long.
 Data: <&#160;|?&#196;~   &#208;&#159; &#198;~   > A0 7C 3F C4 7E 02 00 00 D0 9F 04 C6 7E 02 00 00 
{268} normal block at 0x0000027EC43F84C0, 16 bytes long.
 Data: <`&#135;?&#196;~           > 60 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027EC43F8010, 16 bytes long.
 Data: <8&#135;?&#196;~           > 38 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027EC43F06D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000027EC43F7BB0, 16 bytes long.
 Data: < &#135;?&#196;~           > 10 87 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027EC43F8710, 992 bytes long.
 Data: <&#176;{?&#196;~   &#208; ?&#196;~   > B0 7B 3F C4 7E 02 00 00 D0 06 3F C4 7E 02 00 00 
{100} normal block at 0x0000027EC43F0DF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x0000027EC43EC190, 16 bytes long.
 Data: <&#208;g?&#196;~           > D0 67 3F C4 7E 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000027EC43F67D0, 40 bytes long.
 Data: < &#193;>&#196;~   &#240; ?&#196;~   > 90 C1 3E C4 7E 02 00 00 F0 0D 3F C4 7E 02 00 00 
{77} normal block at 0x0000027EC43EBCE0, 16 bytes long.
 Data: < &#234;&#234;%&#246;           > 80 EA EA 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000027EC43EBF10, 16 bytes long.
 Data: <@&#233;&#234;%&#246;           > 40 E9 EA 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027EC43EBD30, 16 bytes long.
 Data: <&#248;W&#231;%&#246;           > F8 57 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027EC43EC230, 16 bytes long.
 Data: <&#216;W&#231;%&#246;           > D8 57 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027EC43EC0F0, 16 bytes long.
 Data: <P &#231;%&#246;           > 50 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027EC43ECA50, 16 bytes long.
 Data: <0 &#231;%&#246;           > 30 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027EC43EC5A0, 16 bytes long.
 Data: <&#224; &#231;%&#246;           > E0 02 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027EC43EC050, 16 bytes long.
 Data: <  &#231;%&#246;           > 10 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027EC43EC140, 16 bytes long.
 Data: <p &#231;%&#246;           > 70 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027EC43EBE20, 16 bytes long.
 Data: < &#192;&#229;%&#246;           > 18 C0 E5 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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