Task 38652369

Name test_186-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND6840_0
Workunit 31596557
Created 24 Oct 2026, 3:45:42 UTC
Sent 24 Oct 2026, 3:55:12 UTC
Report deadline 29 Oct 2026, 3:55:12 UTC
Received 24 Oct 2026, 7:31:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590980
Run time 2 hours 51 min 58 sec
CPU time 2 hours 42 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.73 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:41:03 (32964): wrapper (7.9.26016): starting
06:41:03 (32964): 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
06:41:05 (32964): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:41:05 (32964): 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
09:30:59 (32964): C:/Windows/system32/cmd.exe exited; CPU time 9744.906250
09:30:59 (32964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 189312537 bytes.
Dumping objects ->
{3835472} normal block at 0x000001D03C88C8C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x000001D03C88C930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x000001D03C88CE00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835439} normal block at 0x000001D03C88CAF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x000001D03C88D490, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835397} normal block at 0x000001D03E55A910, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835386} normal block at 0x000001D03C8C1A20, 141 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) : {3835383} normal block at 0x000001D03C8620F0, 8 bytes long.
 Data: <  &#208;<&#208;   > 00 00 D0 3C D0 01 00 00 
{3834665} normal block at 0x000001D03C8C1880, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001D03C8616A0, 8 bytes long.
 Data: <&#240;i^>&#208;   > F0 69 5E 3E D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D03C855FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D03C856FA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001D03C869860, 16 bytes long.
 Data: <&#168;&#165;&#134;<&#208;           > A8 A5 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D03C86A210, 16 bytes long.
 Data: < &#165;&#134;<&#208;           > 80 A5 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D03C865270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001D03C869680, 16 bytes long.
 Data: <X&#165;&#134;<&#208;           > 58 A5 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D03C869BD0, 16 bytes long.
 Data: <0&#165;&#134;<&#208;           > 30 A5 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D03C86A1C0, 16 bytes long.
 Data: < &#165;&#134;<&#208;           > 08 A5 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D03C8698B0, 16 bytes long.
 Data: <&#224;&#164;&#134;<&#208;           > E0 A4 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D03C863680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001D03C86A0D0, 16 bytes long.
 Data: <&#248;&#242;&#132;<&#208;           > F8 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D03C8654B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001D03C869EA0, 16 bytes long.
 Data: <&#208;&#242;&#132;<&#208;           > D0 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D03C869450, 16 bytes long.
 Data: <&#168;&#242;&#132;<&#208;           > A8 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D03C869A90, 16 bytes long.
 Data: < &#242;&#132;<&#208;           > 80 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D03C869B80, 16 bytes long.
 Data: <X&#242;&#132;<&#208;           > 58 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D03C8697C0, 16 bytes long.
 Data: <0&#242;&#132;<&#208;           > 30 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D03C86A080, 16 bytes long.
 Data: < &#242;&#132;<&#208;           > 08 F2 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D03C864D90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001D03C8699F0, 16 bytes long.
 Data: <&#224;&#241;&#132;<&#208;           > E0 F1 84 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D03C84F1E0, 320 bytes long.
 Data: <&#240; &#134;<&#208;    M&#134;<&#208;   > F0 99 86 3C D0 01 00 00 90 4D 86 3C D0 01 00 00 
{280} normal block at 0x000001D03C8696D0, 16 bytes long.
 Data: <&#192;&#164;&#134;<&#208;           > C0 A4 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D03C869F90, 16 bytes long.
 Data: < &#164;&#134;<&#208;           > 98 A4 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D03C864BB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001D03C8699A0, 16 bytes long.
 Data: <p&#164;&#134;<&#208;           > 70 A4 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D03C865750, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001D03C86A030, 16 bytes long.
 Data: <&#184;&#163;&#134;<&#208;           > B8 A3 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D03C86A120, 16 bytes long.
 Data: < &#163;&#134;<&#208;           > 90 A3 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D03C8692C0, 16 bytes long.
 Data: <h&#163;&#134;<&#208;           > 68 A3 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D03C8694F0, 16 bytes long.
 Data: <@&#163;&#134;<&#208;           > 40 A3 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D03C869AE0, 16 bytes long.
 Data: < &#163;&#134;<&#208;           > 18 A3 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D03C86A170, 16 bytes long.
 Data: <&#240;&#162;&#134;<&#208;           > F0 A2 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D03C869D10, 16 bytes long.
 Data: <@8&#134;<&#208;           > 40 38 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D03C863840, 40 bytes long.
 Data: <  &#134;<&#208;    &#169;U>&#208;   > 10 9D 86 3C D0 01 00 00 10 A9 55 3E D0 01 00 00 
{266} normal block at 0x000001D03C869C70, 16 bytes long.
 Data: <&#208;&#162;&#134;<&#208;           > D0 A2 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D03C869C20, 16 bytes long.
 Data: <&#168;&#162;&#134;<&#208;           > A8 A2 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D03C864F70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001D03C869540, 16 bytes long.
 Data: < &#162;&#134;<&#208;           > 80 A2 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D03C86A280, 992 bytes long.
 Data: <@&#149;&#134;<&#208;   pO&#134;<&#208;   > 40 95 86 3C D0 01 00 00 70 4F 86 3C D0 01 00 00 
{98} normal block at 0x000001D03C865510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001D03C861650, 16 bytes long.
 Data: <P4&#134;<&#208;           > 50 34 86 3C D0 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001D03C863450, 40 bytes long.
 Data: <P &#134;<&#208;    U&#134;<&#208;   > 50 16 86 3C D0 01 00 00 10 55 86 3C D0 01 00 00 
{75} normal block at 0x000001D03C861880, 16 bytes long.
 Data: < &#234;&#154;]&#246;           > 80 EA 9A 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D03C861A10, 16 bytes long.
 Data: <@&#233;&#154;]&#246;           > 40 E9 9A 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D03C861600, 16 bytes long.
 Data: <&#248;W&#151;]&#246;           > F8 57 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D03C8615B0, 16 bytes long.
 Data: <&#216;W&#151;]&#246;           > D8 57 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D03C8619C0, 16 bytes long.
 Data: <P &#151;]&#246;           > 50 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D03C861830, 16 bytes long.
 Data: <0 &#151;]&#246;           > 30 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D03C861DD0, 16 bytes long.
 Data: <&#224; &#151;]&#246;           > E0 02 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D03C861420, 16 bytes long.
 Data: <  &#151;]&#246;           > 10 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D03C861C90, 16 bytes long.
 Data: <p &#151;]&#246;           > 70 04 97 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D03C861EC0, 16 bytes long.
 Data: < &#192;&#149;]&#246;           > 18 C0 95 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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