Task 38651106

Name test_251-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8678_0
Workunit 31595548
Created 24 Oct 2026, 0:56:48 UTC
Sent 24 Oct 2026, 1:27:59 UTC
Report deadline 29 Oct 2026, 1:27:59 UTC
Received 24 Oct 2026, 3:32:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 1 hours 4 min 15 sec
CPU time 44 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.89 MB
Peak swap size 5.21 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:29:16 (15064): wrapper (7.9.26016): starting
21:29:16 (15064): 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
21:29:22 (15064): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:29:22 (15064): 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\3\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\3\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
22:32:00 (15064): C:/Windows/system32/cmd.exe exited; CPU time 2641.218750
22:32:00 (15064): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 34375309 bytes.
Dumping objects ->
{3835229} normal block at 0x000002C9F347DA70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002C9F17A55F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002C9F17A4FD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000002C9F17A53C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000002C9F17A5040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000002C9F34CB8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000002C9F34DF500, 102 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) : {3835140} normal block at 0x000002C9F179FC00, 8 bytes long.
 Data: <  &#203;&#241;&#201;   > 00 00 CB F1 C9 02 00 00 
{3834541} normal block at 0x000002C9F34DF9D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002C9F179F980, 8 bytes long.
 Data: <&#224;Hz&#241;&#201;   > E0 48 7A F1 C9 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002C9F17A17C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002C9F17962F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002C9F17A5D00, 16 bytes long.
 Data: <Xnz&#241;&#201;           > 58 6E 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C9F17A67F0, 16 bytes long.
 Data: <0nz&#241;&#201;           > 30 6E 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C9F17A0ED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002C9F17A67A0, 16 bytes long.
 Data: < nz&#241;&#201;           > 08 6E 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C9F17A6200, 16 bytes long.
 Data: <&#224;mz&#241;&#201;           > E0 6D 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C9F17A5FD0, 16 bytes long.
 Data: <&#184;mz&#241;&#201;           > B8 6D 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C9F17A6A20, 16 bytes long.
 Data: < mz&#241;&#201;           > 90 6D 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C9F17A5430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002C9F17A62A0, 16 bytes long.
 Data: <&#184;&#147;y&#241;&#201;           > B8 93 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C9F17A0BD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002C9F17A6660, 16 bytes long.
 Data: < &#147;y&#241;&#201;           > 90 93 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C9F17A69D0, 16 bytes long.
 Data: <h&#147;y&#241;&#201;           > 68 93 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C9F17A5EE0, 16 bytes long.
 Data: <@&#147;y&#241;&#201;           > 40 93 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C9F17A6750, 16 bytes long.
 Data: < &#147;y&#241;&#201;           > 18 93 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C9F17A5C10, 16 bytes long.
 Data: <&#240;&#146;y&#241;&#201;           > F0 92 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C9F17A5E90, 16 bytes long.
 Data: <&#200;&#146;y&#241;&#201;           > C8 92 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C9F17A0570, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002C9F17A6610, 16 bytes long.
 Data: <&#160;&#146;y&#241;&#201;           > A0 92 79 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C9F17992A0, 320 bytes long.
 Data: < fz&#241;&#201;   p z&#241;&#201;   > 10 66 7A F1 C9 02 00 00 70 05 7A F1 C9 02 00 00 
{277} normal block at 0x000002C9F17A6430, 16 bytes long.
 Data: <pmz&#241;&#201;           > 70 6D 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C9F17A5BC0, 16 bytes long.
 Data: <Hmz&#241;&#201;           > 48 6D 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C9F17A0DB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002C9F17A6980, 16 bytes long.
 Data: < mz&#241;&#201;           > 20 6D 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C9F17A0090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002C9F17A65C0, 16 bytes long.
 Data: <hlz&#241;&#201;           > 68 6C 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C9F17A66B0, 16 bytes long.
 Data: <@lz&#241;&#201;           > 40 6C 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C9F17A6340, 16 bytes long.
 Data: < lz&#241;&#201;           > 18 6C 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C9F17A5CB0, 16 bytes long.
 Data: <&#240;kz&#241;&#201;           > F0 6B 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C9F17A6890, 16 bytes long.
 Data: <&#200;kz&#241;&#201;           > C8 6B 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C9F17A5C60, 16 bytes long.
 Data: <&#160;kz&#241;&#201;           > A0 6B 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C9F17A68E0, 16 bytes long.
 Data: < Qz&#241;&#201;           > 90 51 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C9F17A5190, 40 bytes long.
 Data: <&#224;hz&#241;&#201;   &#176;&#184;L&#243;&#201;   > E0 68 7A F1 C9 02 00 00 B0 B8 4C F3 C9 02 00 00 
{263} normal block at 0x000002C9F17A5F80, 16 bytes long.
 Data: < kz&#241;&#201;           > 80 6B 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C9F17A6930, 16 bytes long.
 Data: <Xkz&#241;&#201;           > 58 6B 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C9F17A0450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002C9F17A6570, 16 bytes long.
 Data: <0kz&#241;&#201;           > 30 6B 7A F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C9F17A6B30, 992 bytes long.
 Data: <pez&#241;&#201;   P z&#241;&#201;   > 70 65 7A F1 C9 02 00 00 50 04 7A F1 C9 02 00 00 
{95} normal block at 0x000002C9F17A0990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002C9F179F430, 16 bytes long.
 Data: <`&#223;x&#241;&#201;           > 60 DF 78 F1 C9 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002C9F178DF60, 40 bytes long.
 Data: <0&#244;y&#241;&#201;    	z&#241;&#201;   > 30 F4 79 F1 C9 02 00 00 90 09 7A F1 C9 02 00 00 
{72} normal block at 0x000002C9F179F6B0, 16 bytes long.
 Data: < &#234;cX&#247;           > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002C9F179F250, 16 bytes long.
 Data: <@&#233;cX&#247;           > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C9F179F570, 16 bytes long.
 Data: <&#248;W`X&#247;           > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C9F179F1B0, 16 bytes long.
 Data: <&#216;W`X&#247;           > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C9F179FA20, 16 bytes long.
 Data: <P `X&#247;           > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C9F179F610, 16 bytes long.
 Data: <0 `X&#247;           > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C9F179F3E0, 16 bytes long.
 Data: <&#224; `X&#247;           > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C9F179F660, 16 bytes long.
 Data: <  `X&#247;           > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C9F179FC50, 16 bytes long.
 Data: <p `X&#247;           > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C9F179FD40, 16 bytes long.
 Data: < &#192;^X&#247;           > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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