Task 38680869

Name test_420-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9670_0
Workunit 31622566
Created 27 Oct 2026, 2:01:16 UTC
Sent 27 Oct 2026, 2:01:21 UTC
Report deadline 1 Nov 2026, 2:01:21 UTC
Received 27 Oct 2026, 4:09:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 59 min 33 sec
CPU time 59 min 33 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 741.67 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>
23:08:43 (90840): wrapper (7.9.26016): starting
23:08:43 (90840): 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
23:08:44 (90840): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:08:44 (90840): 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
00:08:42 (90840): C:/Windows/system32/cmd.exe exited; CPU time 3573.312500
00:08:42 (90840): 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: 100188949 bytes.
Dumping objects ->
{3835512} normal block at 0x00000166300A0280, 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 0x000001662E418600, 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 0x000001662E418590, 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 0x000001662E418520, 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 0x000001662E417FE0, 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 0x00000166300EE840, 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 0x000001662E411640, 8 bytes long.
 Data: <  :.f   > 00 00 3A 2E 66 01 00 00 
{3833965} normal block at 0x000001662E4114B0, 8 bytes long.
 Data: <   0f   > 20 99 17 30 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001662E409120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001662E40A040, 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 0x000001662E4196C0, 16 bytes long.
 Data: < &#155;A.f           > 98 9B 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001662E4192B0, 16 bytes long.
 Data: <p&#155;A.f           > 70 9B 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001662E4149B0, 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 0x000001662E419260, 16 bytes long.
 Data: <H&#155;A.f           > 48 9B 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001662E419210, 16 bytes long.
 Data: < &#155;A.f           > 20 9B 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001662E4191C0, 16 bytes long.
 Data: <&#248;&#154;A.f           > F8 9A 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001662E418C70, 16 bytes long.
 Data: <&#208;&#154;A.f           > D0 9A 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001662E4181A0, 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 0x000001662E418E00, 16 bytes long.
 Data: <X&#196;?.f           > 58 C4 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001662E4143B0, 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 0x000001662E419170, 16 bytes long.
 Data: <0&#196;?.f           > 30 C4 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001662E418BD0, 16 bytes long.
 Data: < &#196;?.f           > 08 C4 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001662E418F90, 16 bytes long.
 Data: <&#224;&#195;?.f           > E0 C3 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001662E419580, 16 bytes long.
 Data: <&#184;&#195;?.f           > B8 C3 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001662E4189A0, 16 bytes long.
 Data: < &#195;?.f           > 90 C3 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001662E418B80, 16 bytes long.
 Data: <h&#195;?.f           > 68 C3 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001662E414EF0, 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 0x000001662E418B30, 16 bytes long.
 Data: <@&#195;?.f           > 40 C3 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001662E3FC340, 320 bytes long.
 Data: <0&#139;A.f   &#240;NA.f   > 30 8B 41 2E 66 01 00 00 F0 4E 41 2E 66 01 00 00 
{278} normal block at 0x000001662E418AE0, 16 bytes long.
 Data: <&#176;&#154;A.f           > B0 9A 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001662E418FE0, 16 bytes long.
 Data: < &#154;A.f           > 88 9A 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001662E414B90, 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 0x000001662E418D60, 16 bytes long.
 Data: <`&#154;A.f           > 60 9A 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001662E4142F0, 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 0x000001662E418900, 16 bytes long.
 Data: <&#168; A.f           > A8 99 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001662E419120, 16 bytes long.
 Data: <  A.f           > 80 99 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001662E419800, 16 bytes long.
 Data: <X A.f           > 58 99 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001662E419670, 16 bytes long.
 Data: <0 A.f           > 30 99 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001662E418A90, 16 bytes long.
 Data: <  A.f           > 08 99 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001662E418C20, 16 bytes long.
 Data: <&#224; A.f           > E0 98 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001662E418F40, 16 bytes long.
 Data: <`&#131;A.f           > 60 83 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001662E418360, 40 bytes long.
 Data: <@ A.f   @&#232; 0f   > 40 8F 41 2E 66 01 00 00 40 E8 0E 30 66 01 00 00 
{264} normal block at 0x000001662E419030, 16 bytes long.
 Data: <&#192; A.f           > C0 98 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001662E418DB0, 16 bytes long.
 Data: <  A.f           > 98 98 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001662E414A10, 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 0x000001662E4190D0, 16 bytes long.
 Data: <p A.f           > 70 98 41 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001662E419870, 992 bytes long.
 Data: <&#208; A.f    JA.f   > D0 90 41 2E 66 01 00 00 10 4A 41 2E 66 01 00 00 
{96} normal block at 0x000001662E414890, 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 0x000001662E411190, 16 bytes long.
 Data: <@&#208;?.f           > 40 D0 3F 2E 66 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001662E3FD040, 40 bytes long.
 Data: <  A.f    HA.f   > 90 11 41 2E 66 01 00 00 90 48 41 2E 66 01 00 00 
{73} normal block at 0x000001662E4115A0, 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 0x000001662E411140, 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 0x000001662E411460, 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 0x000001662E411320, 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 0x000001662E411C80, 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 0x000001662E411780, 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 0x000001662E411500, 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 0x000001662E411410, 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 0x000001662E4115F0, 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 0x000001662E412090, 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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