Task 38683339

Name test_608-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4661_0
Workunit 31624906
Created 27 Oct 2026, 11:26:46 UTC
Sent 27 Oct 2026, 11:26:51 UTC
Report deadline 1 Nov 2026, 11:26:51 UTC
Received 27 Oct 2026, 13:06:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 51 sec
CPU time 23 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.46 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:41:48 (29216): wrapper (7.9.26016): starting
14:41:48 (29216): 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
14:41:49 (29216): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:49 (29216): 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\27\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\27\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
15:05:46 (29216): C:/Windows/system32/cmd.exe exited; CPU time 1404.875000
15:05:46 (29216): 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: 27923823 bytes.
Dumping objects ->
{3835575} normal block at 0x0000028D46B87EE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000028D46B88A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x0000028D46B88880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x0000028D46B885E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000028D44DF4F00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x0000028D46B96910, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000028D44E4D530, 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) : {3835486} normal block at 0x0000028D44DEBDD0, 8 bytes long.
 Data: <  -E    > 00 00 2D 45 8D 02 00 00 
{3834707} normal block at 0x0000028D44E4E160, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x0000028D44DEB420, 8 bytes long.
 Data: <`k&#194;F    > 60 6B C2 46 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000028D44DDF990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000028D44DE6F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000028D44DF5890, 16 bytes long.
 Data: < i&#223;D            > 98 69 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000028D44DF6330, 16 bytes long.
 Data: <pi&#223;D            > 70 69 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000028D44DEF3E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000028D44DF5840, 16 bytes long.
 Data: <Hi&#223;D            > 48 69 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000028D44DF5E80, 16 bytes long.
 Data: < i&#223;D            > 20 69 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028D44DF61F0, 16 bytes long.
 Data: <&#248;h&#223;D            > F8 68 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028D44DF6510, 16 bytes long.
 Data: <&#208;h&#223;D            > D0 68 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028D44DF4AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000028D44DF65B0, 16 bytes long.
 Data: <( &#222;D            > 28 07 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028D44DEF680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000028D44DF62E0, 16 bytes long.
 Data: <  &#222;D            > 00 07 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028D44DF5E30, 16 bytes long.
 Data: <&#216; &#222;D            > D8 06 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D44DF5DE0, 16 bytes long.
 Data: <&#176; &#222;D            > B0 06 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028D44DF5930, 16 bytes long.
 Data: <  &#222;D            > 88 06 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D44DF5C00, 16 bytes long.
 Data: <` &#222;D            > 60 06 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028D44DF5A20, 16 bytes long.
 Data: <8 &#222;D            > 38 06 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028D44DEF380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000028D44DF5ED0, 16 bytes long.
 Data: <  &#222;D            > 10 06 DE 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028D44DE0610, 320 bytes long.
 Data: <&#208;^&#223;D     &#243;&#222;D    > D0 5E DF 44 8D 02 00 00 80 F3 DE 44 8D 02 00 00 
{283} normal block at 0x0000028D44DF61A0, 16 bytes long.
 Data: <&#176;h&#223;D            > B0 68 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028D44DF57A0, 16 bytes long.
 Data: < h&#223;D            > 88 68 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028D44DEF8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000028D44DF5B60, 16 bytes long.
 Data: <`h&#223;D            > 60 68 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D44DF0040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000028D44DF5D90, 16 bytes long.
 Data: <&#168;g&#223;D            > A8 67 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028D44DF5AC0, 16 bytes long.
 Data: < g&#223;D            > 80 67 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028D44DF6010, 16 bytes long.
 Data: <Xg&#223;D            > 58 67 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D44DF6240, 16 bytes long.
 Data: <0g&#223;D            > 30 67 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028D44DF5750, 16 bytes long.
 Data: < g&#223;D            > 08 67 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D44DF5CA0, 16 bytes long.
 Data: <&#224;f&#223;D            > E0 66 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028D44DF6380, 16 bytes long.
 Data: <0Q&#223;D            > 30 51 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D44DF5130, 40 bytes long.
 Data: < c&#223;D     i&#185;F    > 80 63 DF 44 8D 02 00 00 10 69 B9 46 8D 02 00 00 
{269} normal block at 0x0000028D44DF6060, 16 bytes long.
 Data: <&#192;f&#223;D            > C0 66 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D44DF5CF0, 16 bytes long.
 Data: < f&#223;D            > 98 66 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028D44DEF6E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000028D44DF56B0, 16 bytes long.
 Data: <pf&#223;D            > 70 66 DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D44DF6670, 992 bytes long.
 Data: <&#176;V&#223;D    &#224;&#246;&#222;D    > B0 56 DF 44 8D 02 00 00 E0 F6 DE 44 8D 02 00 00 
{101} normal block at 0x0000028D44DEF260, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000028D44DEBCE0, 16 bytes long.
 Data: <`L&#223;D            > 60 4C DF 44 8D 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000028D44DF4C60, 40 bytes long.
 Data: <&#224;&#188;&#222;D    `&#242;&#222;D    > E0 BC DE 44 8D 02 00 00 60 F2 DE 44 8D 02 00 00 
{78} normal block at 0x0000028D44DEC0A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000028D44DEBA10, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000028D44DEB740, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000028D44DEB9C0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000028D44DEC140, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028D44DEB970, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028D44DEC000, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028D44DEB8D0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028D44DEB7E0, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028D44DEBFB0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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