Task 38677040

Name test_131-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2745_0
Workunit 31618925
Created 26 Oct 2026, 13:05:23 UTC
Sent 26 Oct 2026, 13:05:28 UTC
Report deadline 31 Oct 2026, 13:05:28 UTC
Received 26 Oct 2026, 14:56:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654844
Run time 34 min 31 sec
CPU time 30 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.72 MB
Peak swap size 2.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:21:42 (5992): wrapper (7.9.26016): starting
16:21:42 (5992): 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
16:21:45 (5992): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:21:45 (5992): 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 'G:\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 'G:\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
16:54:33 (5992): C:/Windows/system32/cmd.exe exited; CPU time 1855.078125
16:54:33 (5992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 23055043 bytes.
Dumping objects ->
{3835451} normal block at 0x0000021A06D07860, 48 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000021A06D07710, 48 bytes long.
 Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000021A06D07E10, 48 bytes long.
 Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000021A06D07EF0, 48 bytes long.
 Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000021A06D07DA0, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x0000021A08845B20, 64 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x0000021A088A3310, 160 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) : {3835362} normal block at 0x0000021A06CD64B0, 8 bytes long.
 Data: <  &#150;     > 00 00 96 08 1A 02 00 00 
{3834641} normal block at 0x0000021A088A3230, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000021A06CD6BE0, 8 bytes long.
 Data: <09      > 30 39 8A 08 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021A06CE1BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021A06CC5AE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000021A06CE30E0, 16 bytes long.
 Data: <&#168;R&#206;             > A8 52 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021A06CE3450, 16 bytes long.
 Data: < R&#206;             > 80 52 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021A06CDCBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000021A06CE3220, 16 bytes long.
 Data: <XR&#206;             > 58 52 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021A06CE3400, 16 bytes long.
 Data: <0R&#206;             > 30 52 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021A06CE33B0, 16 bytes long.
 Data: < R&#206;             > 08 52 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021A06CE3090, 16 bytes long.
 Data: <&#224;Q&#206;             > E0 51 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021A06CDB560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000021A06CE3360, 16 bytes long.
 Data: <xZ&#204;             > 78 5A CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021A06CDD1B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000021A06CE3680, 16 bytes long.
 Data: <PZ&#204;             > 50 5A CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021A06CE38B0, 16 bytes long.
 Data: <(Z&#204;             > 28 5A CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021A06CE3040, 16 bytes long.
 Data: < Z&#204;             > 00 5A CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021A06CE2F00, 16 bytes long.
 Data: <&#216;Y&#204;             > D8 59 CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021A06CE3860, 16 bytes long.
 Data: <&#176;Y&#204;             > B0 59 CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021A06CE35E0, 16 bytes long.
 Data: < Y&#204;             > 88 59 CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021A06CDCF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000021A06CE2EB0, 16 bytes long.
 Data: <`Y&#204;             > 60 59 CC 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021A06CC5960, 320 bytes long.
 Data: <&#176;.&#206;      &#207;&#205;     > B0 2E CE 06 1A 02 00 00 10 CF CD 06 1A 02 00 00 
{268} normal block at 0x0000021A06CE2CD0, 16 bytes long.
 Data: <&#192;Q&#206;             > C0 51 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021A06CE2FA0, 16 bytes long.
 Data: < Q&#206;             > 98 51 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021A06CDC430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000021A06CE3180, 16 bytes long.
 Data: <pQ&#206;             > 70 51 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021A06CDC670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000021A06CE2E10, 16 bytes long.
 Data: <&#184;P&#206;             > B8 50 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021A06CE37C0, 16 bytes long.
 Data: < P&#206;             > 90 50 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021A06CE3590, 16 bytes long.
 Data: <hP&#206;             > 68 50 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021A06CE3810, 16 bytes long.
 Data: <@P&#206;             > 40 50 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021A06CE3270, 16 bytes long.
 Data: < P&#206;             > 18 50 CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021A06CE2D70, 16 bytes long.
 Data: <&#240;O&#206;             > F0 4F CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021A06CE2FF0, 16 bytes long.
 Data: <&#224;&#177;&#205;             > E0 B1 CD 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021A06CDB1E0, 40 bytes long.
 Data: <&#240;/&#206;      [&#132;     > F0 2F CE 06 1A 02 00 00 20 5B 84 08 1A 02 00 00 
{254} normal block at 0x0000021A06CE2E60, 16 bytes long.
 Data: <&#208;O&#206;             > D0 4F CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021A06CE2C30, 16 bytes long.
 Data: <&#168;O&#206;             > A8 4F CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021A06CDC850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000021A06CE2B40, 16 bytes long.
 Data: < O&#206;             > 80 4F CE 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021A06CE4F80, 992 bytes long.
 Data: <@+&#206;     P&#200;&#205;     > 40 2B CE 06 1A 02 00 00 50 C8 CD 06 1A 02 00 00 
{86} normal block at 0x0000021A06CDCFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000021A06CD6AA0, 16 bytes long.
 Data: <p&#177;&#205;             > 70 B1 CD 06 1A 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000021A06CDB170, 40 bytes long.
 Data: <&#160;j&#205;     &#208;&#207;&#205;     > A0 6A CD 06 1A 02 00 00 D0 CF CD 06 1A 02 00 00 
{63} normal block at 0x0000021A06CD6960, 16 bytes long.
 Data: < &#234;"&#209;&#246;           > 80 EA 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021A06CD69B0, 16 bytes long.
 Data: <@&#233;"&#209;&#246;           > 40 E9 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021A06CD6690, 16 bytes long.
 Data: <&#248;W &#209;&#246;           > F8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021A06CD7040, 16 bytes long.
 Data: <&#216;W &#209;&#246;           > D8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021A06CD6460, 16 bytes long.
 Data: <P  &#209;&#246;           > 50 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021A06CD71D0, 16 bytes long.
 Data: <0  &#209;&#246;           > 30 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021A06CD6F00, 16 bytes long.
 Data: <&#224;  &#209;&#246;           > E0 02 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021A06CD6A50, 16 bytes long.
 Data: <   &#209;&#246;           > 10 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021A06CD66E0, 16 bytes long.
 Data: <p  &#209;&#246;           > 70 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021A06CD6EB0, 16 bytes long.
 Data: < &#192; &#209;&#246;           > 18 C0 1D D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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