Task 38682580

Name test_179-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6332_0
Workunit 31624184
Created 27 Oct 2026, 8:17:17 UTC
Sent 27 Oct 2026, 8:17:23 UTC
Report deadline 1 Nov 2026, 8:17:23 UTC
Received 28 Oct 2026, 2:00:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 59 min 24 sec
CPU time 59 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.27 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:18:48 (29512): wrapper (7.9.26016): starting
05:18:48 (29512): 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
05:18:49 (29512): Library/usr/bin/tar.exe exited; CPU time 0.062500
05:18:49 (29512): 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\32\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\32\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
06:18:40 (29512): C:/Windows/system32/cmd.exe exited; CPU time 3564.750000
06:18:40 (29512): 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: 95414039 bytes.
Dumping objects ->
{3835512} normal block at 0x0000015B9AB27140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x0000015B98CE5D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000015B98CE5CB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x0000015B98CE5C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000015B98CE5BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x0000015B9AA7E5F0, 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) : {3835424} normal block at 0x0000015B98CDF470, 8 bytes long.
 Data: <    [   > 00 00 1A 99 5B 01 00 00 
{3833965} normal block at 0x0000015B98CDF290, 8 bytes long.
 Data: < &#211;&#219; [   > 00 D3 DB 98 5B 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000015B98CD6A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000015B98CD7920, 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 0x0000015B98CE7420, 16 bytes long.
 Data: <Xx&#206; [           > 58 78 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015B98CE7380, 16 bytes long.
 Data: <0x&#206; [           > 30 78 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015B98CE2170, 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 0x0000015B98CE7240, 16 bytes long.
 Data: < x&#206; [           > 08 78 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015B98CE71F0, 16 bytes long.
 Data: <&#224;w&#206; [           > E0 77 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015B98CE7010, 16 bytes long.
 Data: <&#184;w&#206; [           > B8 77 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015B98CE7330, 16 bytes long.
 Data: < w&#206; [           > 90 77 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015B98CE5D90, 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 0x0000015B98CE6D40, 16 bytes long.
 Data: <(a&#206; [           > 28 61 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015B98CE2110, 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 0x0000015B98CE6980, 16 bytes long.
 Data: < a&#206; [           > 00 61 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015B98CE6A20, 16 bytes long.
 Data: <&#216;`&#206; [           > D8 60 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015B98CE6700, 16 bytes long.
 Data: <&#176;`&#206; [           > B0 60 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015B98CE6B60, 16 bytes long.
 Data: < `&#206; [           > 88 60 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015B98CE6840, 16 bytes long.
 Data: <``&#206; [           > 60 60 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015B98CE69D0, 16 bytes long.
 Data: <8`&#206; [           > 38 60 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015B98CE1DB0, 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 0x0000015B98CE66B0, 16 bytes long.
 Data: < `&#206; [           > 10 60 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015B98CE6010, 320 bytes long.
 Data: <&#176;f&#206; [   &#176; &#206; [   > B0 66 CE 98 5B 01 00 00 B0 1D CE 98 5B 01 00 00 
{278} normal block at 0x0000015B98CE7100, 16 bytes long.
 Data: <pw&#206; [           > 70 77 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015B98CE72E0, 16 bytes long.
 Data: <Hw&#206; [           > 48 77 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015B98CE1C90, 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 0x0000015B98CE6660, 16 bytes long.
 Data: < w&#206; [           > 20 77 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015B98CE1CF0, 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 0x0000015B98CE71A0, 16 bytes long.
 Data: <hv&#206; [           > 68 76 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015B98CE6CF0, 16 bytes long.
 Data: <@v&#206; [           > 40 76 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015B98CE6930, 16 bytes long.
 Data: < v&#206; [           > 18 76 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015B98CE68E0, 16 bytes long.
 Data: <&#240;u&#206; [           > F0 75 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015B98CE67A0, 16 bytes long.
 Data: <&#200;u&#206; [           > C8 75 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015B98CE7150, 16 bytes long.
 Data: <&#160;u&#206; [           > A0 75 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015B98CE6F20, 16 bytes long.
 Data: < ^&#206; [           > 00 5E CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015B98CE5E00, 40 bytes long.
 Data: < o&#206; [   &#240;&#229;&#167;&#154;[   > 20 6F CE 98 5B 01 00 00 F0 E5 A7 9A 5B 01 00 00 
{264} normal block at 0x0000015B98CE73D0, 16 bytes long.
 Data: < u&#206; [           > 80 75 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015B98CE7290, 16 bytes long.
 Data: <Xu&#206; [           > 58 75 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015B98CE1BD0, 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 0x0000015B98CE70B0, 16 bytes long.
 Data: <0u&#206; [           > 30 75 CE 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015B98CE7530, 992 bytes long.
 Data: <&#176;p&#206; [   &#208; &#206; [   > B0 70 CE 98 5B 01 00 00 D0 1B CE 98 5B 01 00 00 
{96} normal block at 0x0000015B98CE1A50, 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 0x0000015B98CDF330, 16 bytes long.
 Data: <  &#205; [           > 00 00 CD 98 5B 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000015B98CD0000, 40 bytes long.
 Data: <0&#243;&#205; [   P &#206; [   > 30 F3 CD 98 5B 01 00 00 50 1A CE 98 5B 01 00 00 
{73} normal block at 0x0000015B98CDF100, 16 bytes long.
 Data: < &#234;a&#229;&#247;           > 80 EA 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000015B98CDF380, 16 bytes long.
 Data: <@&#233;a&#229;&#247;           > 40 E9 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000015B98CDF010, 16 bytes long.
 Data: <&#248;W^&#229;&#247;           > F8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015B98CDEED0, 16 bytes long.
 Data: <&#216;W^&#229;&#247;           > D8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015B98CDEE30, 16 bytes long.
 Data: <P ^&#229;&#247;           > 50 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015B98CDEC00, 16 bytes long.
 Data: <0 ^&#229;&#247;           > 30 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015B98CDECA0, 16 bytes long.
 Data: <&#224; ^&#229;&#247;           > E0 02 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015B98CDF2E0, 16 bytes long.
 Data: <  ^&#229;&#247;           > 10 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015B98CDF240, 16 bytes long.
 Data: <p ^&#229;&#247;           > 70 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015B98CDF6F0, 16 bytes long.
 Data: < &#192;\&#229;&#247;           > 18 C0 5C E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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