Task 38685787

Name test_859-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2317_0
Workunit 31627244
Created 27 Oct 2026, 22:54:58 UTC
Sent 27 Oct 2026, 22:55:02 UTC
Report deadline 1 Nov 2026, 22:55:02 UTC
Received 27 Oct 2026, 23:27:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 29 min 1 sec
CPU time 26 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.07 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:58:42 (59536): wrapper (7.9.26016): starting
18:58:42 (59536): 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
18:58:44 (59536): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:58:44 (59536): 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
19:26:28 (59536): C:/Windows/system32/cmd.exe exited; CPU time 1599.859375
19:26:28 (59536): 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: 44216651 bytes.
Dumping objects ->
{3835253} normal block at 0x0000014CAD8558F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000014CAD854D90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000014CAD855650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000014CAD854E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000014CAD8557A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000014CAD7AD100, 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) : {3835165} normal block at 0x0000014CAB9CD670, 8 bytes long.
 Data: <  f&#173;L   > 00 00 66 AD 4C 01 00 00 
{3833995} normal block at 0x0000014CAB9CD300, 8 bytes long.
 Data: <@&#166;&#132;&#173;L   > 40 A6 84 AD 4C 01 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000014CAB9C7950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000014CAB9C9090, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x0000014CAB9D5ED0, 16 bytes long.
 Data: <xf &#171;L           > 78 66 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000014CAB9D53E0, 16 bytes long.
 Data: <Pf &#171;L           > 50 66 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000014CAB9CEF80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x0000014CAB9D5A20, 16 bytes long.
 Data: <(f &#171;L           > 28 66 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000014CAB9D5930, 16 bytes long.
 Data: < f &#171;L           > 00 66 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000014CAB9D5B10, 16 bytes long.
 Data: <&#216;e &#171;L           > D8 65 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000014CAB9D5F70, 16 bytes long.
 Data: <&#176;e &#171;L           > B0 65 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000014CAB9CFB70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x0000014CAB9D57F0, 16 bytes long.
 Data: < &#217;&#155;&#171;L           > 98 D9 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000014CAB9CEBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x0000014CAB9D5BB0, 16 bytes long.
 Data: <p&#217;&#155;&#171;L           > 70 D9 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000014CAB9D57A0, 16 bytes long.
 Data: <H&#217;&#155;&#171;L           > 48 D9 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014CAB9D5520, 16 bytes long.
 Data: < &#217;&#155;&#171;L           > 20 D9 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000014CAB9D5DE0, 16 bytes long.
 Data: <&#248;&#216;&#155;&#171;L           > F8 D8 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014CAB9D55C0, 16 bytes long.
 Data: <&#208;&#216;&#155;&#171;L           > D0 D8 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014CAB9D5610, 16 bytes long.
 Data: <&#168;&#216;&#155;&#171;L           > A8 D8 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014CAB9CE9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x0000014CAB9D5AC0, 16 bytes long.
 Data: < &#216;&#155;&#171;L           > 80 D8 9B AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014CAB9BD880, 320 bytes long.
 Data: <&#192;Z &#171;L   &#224;&#233;&#156;&#171;L   > C0 5A 9D AB 4C 01 00 00 E0 E9 9C AB 4C 01 00 00 
{293} normal block at 0x0000014CAB9D6010, 16 bytes long.
 Data: < e &#171;L           > 90 65 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014CAB9D6150, 16 bytes long.
 Data: <he &#171;L           > 68 65 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014CAB9CE980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x0000014CAB9D5890, 16 bytes long.
 Data: <@e &#171;L           > 40 65 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014CAB9CF280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x0000014CAB9D5390, 16 bytes long.
 Data: < d &#171;L           > 88 64 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014CAB9D59D0, 16 bytes long.
 Data: <`d &#171;L           > 60 64 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014CAB9D61F0, 16 bytes long.
 Data: <8d &#171;L           > 38 64 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014CAB9D5D90, 16 bytes long.
 Data: < d &#171;L           > 10 64 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014CAB9D5570, 16 bytes long.
 Data: <&#232;c &#171;L           > E8 63 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014CAB9D5980, 16 bytes long.
 Data: <&#192;c &#171;L           > C0 63 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014CAB9D6100, 16 bytes long.
 Data: <&#208;&#248;&#156;&#171;L           > D0 F8 9C AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014CAB9CF8D0, 40 bytes long.
 Data: < a &#171;L    &#209;z&#173;L   > 00 61 9D AB 4C 01 00 00 00 D1 7A AD 4C 01 00 00 
{279} normal block at 0x0000014CAB9D5A70, 16 bytes long.
 Data: <&#160;c &#171;L           > A0 63 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014CAB9D5D40, 16 bytes long.
 Data: <xc &#171;L           > 78 63 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014CAB9CEF20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x0000014CAB9D5E80, 16 bytes long.
 Data: <Pc &#171;L           > 50 63 9D AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014CAB9D6350, 992 bytes long.
 Data: < ^ &#171;L    &#239;&#156;&#171;L   > 80 5E 9D AB 4C 01 00 00 20 EF 9C AB 4C 01 00 00 
{111} normal block at 0x0000014CAB9CECE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x0000014CAB9CD170, 16 bytes long.
 Data: <0&#253;&#156;&#171;L           > 30 FD 9C AB 4C 01 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000014CAB9CFD30, 40 bytes long.
 Data: <p&#209;&#156;&#171;L   &#224;&#236;&#156;&#171;L   > 70 D1 9C AB 4C 01 00 00 E0 EC 9C AB 4C 01 00 00 
{88} normal block at 0x0000014CAB9CD490, 16 bytes long.
 Data: < &#234; .&#246;           > 80 EA 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000014CAB9CCA90, 16 bytes long.
 Data: <@&#233; .&#246;           > 40 E9 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000014CAB9CD620, 16 bytes long.
 Data: <&#248;W .&#246;           > F8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000014CAB9CD4E0, 16 bytes long.
 Data: <&#216;W .&#246;           > D8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000014CAB9CCD60, 16 bytes long.
 Data: <P  .&#246;           > 50 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000014CAB9CD260, 16 bytes long.
 Data: <0  .&#246;           > 30 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000014CAB9CD120, 16 bytes long.
 Data: <&#224;  .&#246;           > E0 02 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000014CAB9CC9F0, 16 bytes long.
 Data: <   .&#246;           > 10 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000014CAB9CC8B0, 16 bytes long.
 Data: <p  .&#246;           > 70 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000014CAB9CCEA0, 16 bytes long.
 Data: < &#192; .&#246;           > 18 C0 00 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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