Task 38683388

Name test_287-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9350_0
Workunit 31624948
Created 27 Oct 2026, 11:37:17 UTC
Sent 27 Oct 2026, 11:37:22 UTC
Report deadline 1 Nov 2026, 11:37:22 UTC
Received 27 Oct 2026, 12:03:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 24 min 50 sec
CPU time 23 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.03 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:38:35 (10388): wrapper (7.9.26016): starting
14:38:35 (10388): 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
14:38:36 (10388): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:38:36 (10388): 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
15:02:33 (10388): C:/Windows/system32/cmd.exe exited; CPU time 1437.312500
15:02:33 (10388): 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: 24807341 bytes.
Dumping objects ->
{3835298} normal block at 0x00000213DCBB4C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x00000213DCBB4440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x00000213DCBB47C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x00000213DCBB5160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000213DADF4E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x00000213DCB2A5B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000213DAE4CC10, 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) : {3835209} normal block at 0x00000213DADEDF60, 8 bytes long.
 Data: <  &#217;&#218;    > 00 00 D9 DA 13 02 00 00 
{3834580} normal block at 0x00000213DAE4D5D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000213DADED790, 8 bytes long.
 Data: < W&#184;&#220;    > 20 57 B8 DC 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000213DADF1710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000213DADE67F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000213DADF6030, 16 bytes long.
 Data: <&#184;k&#223;&#218;            > B8 6B DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000213DADF6440, 16 bytes long.
 Data: < k&#223;&#218;            > 90 6B DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000213DADEF980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000213DADF5A90, 16 bytes long.
 Data: <hk&#223;&#218;            > 68 6B DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000213DADF5720, 16 bytes long.
 Data: <@k&#223;&#218;            > 40 6B DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000213DADF5D10, 16 bytes long.
 Data: < k&#223;&#218;            > 18 6B DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000213DADF5FE0, 16 bytes long.
 Data: <&#240;j&#223;&#218;            > F0 6A DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000213DADF4DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000213DADF5E50, 16 bytes long.
 Data: <&#168;&#183;&#221;&#218;            > A8 B7 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000213DADEF3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000213DADF62B0, 16 bytes long.
 Data: < &#183;&#221;&#218;            > 80 B7 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000213DADF5A40, 16 bytes long.
 Data: <X&#183;&#221;&#218;            > 58 B7 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000213DADF6120, 16 bytes long.
 Data: <0&#183;&#221;&#218;            > 30 B7 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000213DADF6670, 16 bytes long.
 Data: < &#183;&#221;&#218;            > 08 B7 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000213DADF59F0, 16 bytes long.
 Data: <&#224;&#182;&#221;&#218;            > E0 B6 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000213DADF61C0, 16 bytes long.
 Data: <&#184;&#182;&#221;&#218;            > B8 B6 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213DADEF320, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000213DADF5860, 16 bytes long.
 Data: < &#182;&#221;&#218;            > 90 B6 DD DA 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000213DADDB690, 320 bytes long.
 Data: <`X&#223;&#218;     &#243;&#222;&#218;    > 60 58 DF DA 13 02 00 00 20 F3 DE DA 13 02 00 00 
{278} normal block at 0x00000213DADF5E00, 16 bytes long.
 Data: <&#208;j&#223;&#218;            > D0 6A DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000213DADF63F0, 16 bytes long.
 Data: <&#168;j&#223;&#218;            > A8 6A DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000213DADEFAA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000213DADF6210, 16 bytes long.
 Data: < j&#223;&#218;            > 80 6A DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000213DADEF0E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000213DADF60D0, 16 bytes long.
 Data: <&#200;i&#223;&#218;            > C8 69 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000213DADF6260, 16 bytes long.
 Data: <&#160;i&#223;&#218;            > A0 69 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000213DADF5DB0, 16 bytes long.
 Data: <xi&#223;&#218;            > 78 69 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000213DADF5F40, 16 bytes long.
 Data: <Pi&#223;&#218;            > 50 69 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000213DADF6170, 16 bytes long.
 Data: <(i&#223;&#218;            > 28 69 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213DADF6080, 16 bytes long.
 Data: < i&#223;&#218;            > 00 69 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000213DADF5C20, 16 bytes long.
 Data: <pO&#223;&#218;            > 70 4F DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000213DADF4F70, 40 bytes long.
 Data: < \&#223;&#218;    &#176;&#165;&#178;&#220;    > 20 5C DF DA 13 02 00 00 B0 A5 B2 DC 13 02 00 00 
{264} normal block at 0x00000213DADF5C70, 16 bytes long.
 Data: <&#224;h&#223;&#218;            > E0 68 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000213DADF6300, 16 bytes long.
 Data: <&#184;h&#223;&#218;            > B8 68 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213DADEF5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000213DADF5810, 16 bytes long.
 Data: < h&#223;&#218;            > 90 68 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000213DADF6890, 992 bytes long.
 Data: < X&#223;&#218;    &#192;&#245;&#222;&#218;    > 10 58 DF DA 13 02 00 00 C0 F5 DE DA 13 02 00 00 
{96} normal block at 0x00000213DADEF080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000213DADEDB00, 16 bytes long.
 Data: < R&#223;&#218;            > 10 52 DF DA 13 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000213DADF5210, 40 bytes long.
 Data: < &#219;&#222;&#218;     &#240;&#222;&#218;    > 00 DB DE DA 13 02 00 00 80 F0 DE DA 13 02 00 00 
{73} normal block at 0x00000213DADEE000, 16 bytes long.
 Data: < &#234;&#168;D&#246;           > 80 EA A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000213DADED420, 16 bytes long.
 Data: <@&#233;&#168;D&#246;           > 40 E9 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000213DADED4C0, 16 bytes long.
 Data: <&#248;W&#165;D&#246;           > F8 57 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000213DADED560, 16 bytes long.
 Data: <&#216;W&#165;D&#246;           > D8 57 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000213DADED740, 16 bytes long.
 Data: <P &#165;D&#246;           > 50 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000213DADED830, 16 bytes long.
 Data: <0 &#165;D&#246;           > 30 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000213DADEDEC0, 16 bytes long.
 Data: <&#224; &#165;D&#246;           > E0 02 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000213DADEDC90, 16 bytes long.
 Data: <  &#165;D&#246;           > 10 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000213DADED6F0, 16 bytes long.
 Data: <p &#165;D&#246;           > 70 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000213DADED7E0, 16 bytes long.
 Data: < &#192;&#163;D&#246;           > 18 C0 A3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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