Task 38680087

Name test_140-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6553_0
Workunit 31621830
Created 26 Oct 2026, 22:46:31 UTC
Sent 26 Oct 2026, 22:46:43 UTC
Report deadline 31 Oct 2026, 22:46:43 UTC
Received 27 Oct 2026, 15:26:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 30 sec
CPU time 30 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.11 MB
Peak swap size 9.93 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:28:55 (37032): wrapper (7.9.26016): starting
23:28:55 (37032): 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
23:28:57 (37032): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:28:57 (37032): 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 'D:\BOINC\slots\18\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 'D:\BOINC\slots\18\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
00:00:02 (37032): C:/Windows/system32/cmd.exe exited; CPU time 1842.734375
00:00:02 (37032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 36110601 bytes.
Dumping objects ->
{3835578} normal block at 0x00000164CD515220, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x00000164CF6425A0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x00000164CF6423C0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x00000164CF6427E0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x00000164CF642120, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x00000164CD5153E0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x00000164CD56D430, 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) : {3835489} normal block at 0x00000164CD50E9E0, 8 bytes long.
 Data: <  J&#205;d   > 00 00 4A CD 64 01 00 00 
{3834767} normal block at 0x00000164CD56D6A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x00000164CD50EC10, 8 bytes long.
 Data: <`KQ&#205;d   > 60 4B 51 CD 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000164CD507190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000164CD508130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000164CD516140, 16 bytes long.
 Data: <&#216;sQ&#205;d           > D8 73 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000164CD5162D0, 16 bytes long.
 Data: <&#176;sQ&#205;d           > B0 73 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000164CD511A10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000164CD516A00, 16 bytes long.
 Data: < sQ&#205;d           > 88 73 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000164CD516B40, 16 bytes long.
 Data: <`sQ&#205;d           > 60 73 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000164CD5169B0, 16 bytes long.
 Data: <8sQ&#205;d           > 38 73 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000164CD516AA0, 16 bytes long.
 Data: < sQ&#205;d           > 10 73 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000164CD5154C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000164CD516910, 16 bytes long.
 Data: <&#216;&#190;O&#205;d           > D8 BE 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000164CD5119B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000164CD516D20, 16 bytes long.
 Data: <&#176;&#190;O&#205;d           > B0 BE 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000164CD5163C0, 16 bytes long.
 Data: < &#190;O&#205;d           > 88 BE 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000164CD516AF0, 16 bytes long.
 Data: <`&#190;O&#205;d           > 60 BE 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000164CD5164B0, 16 bytes long.
 Data: <8&#190;O&#205;d           > 38 BE 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000164CD516280, 16 bytes long.
 Data: < &#190;O&#205;d           > 10 BE 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000164CD5168C0, 16 bytes long.
 Data: < &#189;O&#205;d           > E8 BD 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000164CD511170, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000164CD516870, 16 bytes long.
 Data: <&#192;&#189;O&#205;d           > C0 BD 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000164CD4FBDC0, 320 bytes long.
 Data: <phQ&#205;d   p Q&#205;d   > 70 68 51 CD 64 01 00 00 70 11 51 CD 64 01 00 00 
{279} normal block at 0x00000164CD516690, 16 bytes long.
 Data: < rQ&#205;d           > F0 72 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000164CD516F50, 16 bytes long.
 Data: <&#200;rQ&#205;d           > C8 72 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000164CD511110, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000164CD516960, 16 bytes long.
 Data: < rQ&#205;d           > A0 72 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000164CD511950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000164CD516730, 16 bytes long.
 Data: < qQ&#205;d           > E8 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000164CD516FF0, 16 bytes long.
 Data: <&#192;qQ&#205;d           > C0 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000164CD5165F0, 16 bytes long.
 Data: < qQ&#205;d           > 98 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000164CD516820, 16 bytes long.
 Data: <pqQ&#205;d           > 70 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000164CD516E10, 16 bytes long.
 Data: <HqQ&#205;d           > 48 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000164CD516640, 16 bytes long.
 Data: < qQ&#205;d           > 20 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000164CD516550, 16 bytes long.
 Data: < RQ&#205;d           > 90 52 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000164CD515290, 40 bytes long.
 Data: <PeQ&#205;d    SQ&#205;d   > 50 65 51 CD 64 01 00 00 E0 53 51 CD 64 01 00 00 
{265} normal block at 0x00000164CD516780, 16 bytes long.
 Data: < qQ&#205;d           > 00 71 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000164CD5165A0, 16 bytes long.
 Data: <&#216;pQ&#205;d           > D8 70 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000164CD510E70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000164CD516DC0, 16 bytes long.
 Data: <&#176;pQ&#205;d           > B0 70 51 CD 64 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000164CD5170B0, 992 bytes long.
 Data: <&#192;mQ&#205;d   p Q&#205;d   > C0 6D 51 CD 64 01 00 00 70 0E 51 CD 64 01 00 00 
{97} normal block at 0x00000164CD511830, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000164CD50F890, 16 bytes long.
 Data: <P&#203;O&#205;d           > 50 CB 4F CD 64 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000164CD4FCB50, 40 bytes long.
 Data: <  P&#205;d   0 Q&#205;d   > 90 F8 50 CD 64 01 00 00 30 18 51 CD 64 01 00 00 
{72} normal block at 0x00000164CD50F070, 16 bytes long.
 Data: <  &#212;_            > 80 EA D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000164CD50F430, 16 bytes long.
 Data: <@ &#212;_            > 40 E9 D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000164CD50F390, 16 bytes long.
 Data: < W&#209;_            > F8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000164CD50EEE0, 16 bytes long.
 Data: <&#216;W&#209;_            > D8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000164CD50F750, 16 bytes long.
 Data: <P &#209;_            > 50 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000164CD50F610, 16 bytes long.
 Data: <0 &#209;_            > 30 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000164CD50EE90, 16 bytes long.
 Data: <  &#209;_            > E0 02 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000164CD50ECB0, 16 bytes long.
 Data: <  &#209;_            > 10 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000164CD50F3E0, 16 bytes long.
 Data: <p &#209;_            > 70 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000164CD50EDA0, 16 bytes long.
 Data: < &#192;&#207;_            > 18 C0 CF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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