Task 38675935

Name test_527-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6724_1
Workunit 31617826
Created 26 Oct 2026, 9:45:36 UTC
Sent 26 Oct 2026, 9:45:42 UTC
Report deadline 31 Oct 2026, 9:45:42 UTC
Received 26 Oct 2026, 10:07:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 18 min 1 sec
CPU time 17 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.37 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:49:20 (28016): wrapper (7.9.26016): starting
10:49:20 (28016): 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
10:49:21 (28016): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:49:21 (28016): 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\1\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\1\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
11:06:44 (28016): C:/Windows/system32/cmd.exe exited; CPU time 1045.046875
11:06:44 (28016): 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: 18820743 bytes.
Dumping objects ->
{3835247} normal block at 0x000002356CD55870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002356CD55560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002356CD554F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000002356CD55790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000002356CD55480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000002356EB54CC0, 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) : {3835159} normal block at 0x000002356CD4DCF0, 8 bytes long.
 Data: <  &m5   > 00 00 26 6D 35 02 00 00 
{3833965} normal block at 0x000002356CD4D980, 8 bytes long.
 Data: <&#240;T&#187;n5   > F0 54 BB 6E 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002356CD4EE40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002356CD3F300, 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 0x000002356CD56DE0, 16 bytes long.
 Data: < s&#213;l5           > 08 73 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002356CD56D90, 16 bytes long.
 Data: <&#224;r&#213;l5           > E0 72 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002356CD50490, 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 0x000002356CD56A70, 16 bytes long.
 Data: <&#184;r&#213;l5           > B8 72 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002356CD56F70, 16 bytes long.
 Data: < r&#213;l5           > 90 72 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002356CD56110, 16 bytes long.
 Data: <hr&#213;l5           > 68 72 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002356CD56840, 16 bytes long.
 Data: <@r&#213;l5           > 40 72 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002356CD55410, 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 0x000002356CD56430, 16 bytes long.
 Data: <&#248;&#251;&#211;l5           > F8 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002356CD50190, 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 0x000002356CD56570, 16 bytes long.
 Data: <&#208;&#251;&#211;l5           > D0 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002356CD56ED0, 16 bytes long.
 Data: <&#168;&#251;&#211;l5           > A8 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002356CD56F20, 16 bytes long.
 Data: < &#251;&#211;l5           > 80 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002356CD566B0, 16 bytes long.
 Data: <X&#251;&#211;l5           > 58 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002356CD56D40, 16 bytes long.
 Data: <0&#251;&#211;l5           > 30 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002356CD567F0, 16 bytes long.
 Data: < &#251;&#211;l5           > 08 FB D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002356CD50CD0, 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 0x000002356CD562A0, 16 bytes long.
 Data: <&#224;&#250;&#211;l5           > E0 FA D3 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002356CD3FAE0, 320 bytes long.
 Data: <&#160;b&#213;l5   &#208; &#213;l5   > A0 62 D5 6C 35 02 00 00 D0 0C D5 6C 35 02 00 00 
{278} normal block at 0x000002356CD56480, 16 bytes long.
 Data: < r&#213;l5           > 20 72 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002356CD56CF0, 16 bytes long.
 Data: <&#248;q&#213;l5           > F8 71 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002356CD50C10, 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 0x000002356CD56A20, 16 bytes long.
 Data: <&#208;q&#213;l5           > D0 71 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002356CD50BB0, 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 0x000002356CD56C50, 16 bytes long.
 Data: < q&#213;l5           > 18 71 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002356CD567A0, 16 bytes long.
 Data: <&#240;p&#213;l5           > F0 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002356CD56750, 16 bytes long.
 Data: <&#200;p&#213;l5           > C8 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002356CD56390, 16 bytes long.
 Data: <&#160;p&#213;l5           > A0 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002356CD565C0, 16 bytes long.
 Data: <xp&#213;l5           > 78 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002356CD560C0, 16 bytes long.
 Data: <Pp&#213;l5           > 50 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002356CD56700, 16 bytes long.
 Data: <@V&#213;l5           > 40 56 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002356CD55640, 40 bytes long.
 Data: < g&#213;l5   &#192;L&#181;n5   > 00 67 D5 6C 35 02 00 00 C0 4C B5 6E 35 02 00 00 
{264} normal block at 0x000002356CD56200, 16 bytes long.
 Data: <0p&#213;l5           > 30 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002356CD56CA0, 16 bytes long.
 Data: < p&#213;l5           > 08 70 D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002356CD50430, 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 0x000002356CD56E30, 16 bytes long.
 Data: <&#224;o&#213;l5           > E0 6F D5 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002356CD56FE0, 992 bytes long.
 Data: <0n&#213;l5   0 &#213;l5   > 30 6E D5 6C 35 02 00 00 30 04 D5 6C 35 02 00 00 
{96} normal block at 0x000002356CD50A30, 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 0x000002356CD4E560, 16 bytes long.
 Data: <  &#212;l5           > 20 07 D4 6C 35 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002356CD40720, 40 bytes long.
 Data: <`&#229;&#212;l5   0 &#213;l5   > 60 E5 D4 6C 35 02 00 00 30 0A D5 6C 35 02 00 00 
{73} normal block at 0x000002356CD4E060, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002356CD4E650, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002356CD4E420, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002356CD4DD90, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002356CD4DE80, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002356CD4E2E0, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002356CD4E380, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002356CD4E240, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002356CD4DDE0, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002356CD4D7F0, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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