Task 38685622

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6850_0
Workunit 31627083
Created 27 Oct 2026, 22:05:07 UTC
Sent 27 Oct 2026, 22:05:14 UTC
Report deadline 1 Nov 2026, 22:05:14 UTC
Received 27 Oct 2026, 23:57:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 29 sec
CPU time 36 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.99 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:20:16 (8184): wrapper (7.9.26016): starting
00:20:16 (8184): 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
00:20:17 (8184): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:20:17 (8184): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
00:56:46 (8184): C:/Windows/system32/cmd.exe exited; CPU time 2202.453125
00:56:46 (8184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26544741 bytes.
Dumping objects ->
{3835238} normal block at 0x00000205E33E07D0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x00000205E33E14F0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x00000205E33E0A70, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x00000205E33E0D10, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x00000205E33E1410, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x00000205E349CC10, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x00000205E19DC350, 160 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) : {3835149} normal block at 0x00000205E1987310, 8 bytes long.
 Data: <  &#146;&#225;    > 00 00 92 E1 05 02 00 00 
{3834546} normal block at 0x00000205E19DC430, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000205E1986EB0, 8 bytes long.
 Data: <&#240;&#242; &#225;    > F0 F2 9D E1 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000205E1992040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000205E19761F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000205E1993B70, 16 bytes long.
 Data: <&#184;C &#225;            > B8 43 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000205E1993260, 16 bytes long.
 Data: < C &#225;            > 90 43 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000205E198BEB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000205E1993B20, 16 bytes long.
 Data: <hC &#225;            > 68 43 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205E1993AD0, 16 bytes long.
 Data: <@C &#225;            > 40 43 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000205E1993D00, 16 bytes long.
 Data: < C &#225;            > 18 43 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000205E1993CB0, 16 bytes long.
 Data: <&#240;B &#225;            > F0 42 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205E198DB10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000205E1993530, 16 bytes long.
 Data: < a&#151;&#225;            > 88 61 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205E198C2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000205E1993350, 16 bytes long.
 Data: <`a&#151;&#225;            > 60 61 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000205E1993A80, 16 bytes long.
 Data: <8a&#151;&#225;            > 38 61 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000205E1993990, 16 bytes long.
 Data: < a&#151;&#225;            > 10 61 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205E19932B0, 16 bytes long.
 Data: <&#232;`&#151;&#225;            > E8 60 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000205E1993210, 16 bytes long.
 Data: <&#192;`&#151;&#225;            > C0 60 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205E1993940, 16 bytes long.
 Data: < `&#151;&#225;            > 98 60 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205E198BDF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000205E1993F80, 16 bytes long.
 Data: <p`&#151;&#225;            > 70 60 97 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000205E1976070, 320 bytes long.
 Data: < ? &#225;    &#240;&#189; &#225;    > 80 3F 99 E1 05 02 00 00 F0 BD 98 E1 05 02 00 00 
{270} normal block at 0x00000205E19938A0, 16 bytes long.
 Data: <&#208;B &#225;            > D0 42 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000205E1993850, 16 bytes long.
 Data: <&#168;B &#225;            > A8 42 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000205E198C090, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000205E1993760, 16 bytes long.
 Data: < B &#225;            > 80 42 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000205E198C1B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000205E19934E0, 16 bytes long.
 Data: <&#200;A &#225;            > C8 41 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000205E1993FD0, 16 bytes long.
 Data: <&#160;A &#225;            > A0 41 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000205E1993300, 16 bytes long.
 Data: <xA &#225;            > 78 41 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000205E19931C0, 16 bytes long.
 Data: <PA &#225;            > 50 41 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000205E1993710, 16 bytes long.
 Data: <(A &#225;            > 28 41 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000205E1993C10, 16 bytes long.
 Data: < A &#225;            > 00 41 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000205E1993490, 16 bytes long.
 Data: <0&#225; &#225;            > 30 E1 98 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000205E198E130, 40 bytes long.
 Data: < 4 &#225;     &#204;I&#227;    > 90 34 99 E1 05 02 00 00 10 CC 49 E3 05 02 00 00 
{256} normal block at 0x00000205E19939E0, 16 bytes long.
 Data: <&#224;@ &#225;            > E0 40 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000205E19938F0, 16 bytes long.
 Data: <&#184;@ &#225;            > B8 40 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000205E198C690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000205E1993BC0, 16 bytes long.
 Data: < @ &#225;            > 90 40 99 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000205E1994090, 992 bytes long.
 Data: <&#192;; &#225;     &#198; &#225;    > C0 3B 99 E1 05 02 00 00 90 C6 98 E1 05 02 00 00 
{88} normal block at 0x00000205E198BE50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000205E19873B0, 16 bytes long.
 Data: <&#224;&#223; &#225;            > E0 DF 98 E1 05 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000205E198DFE0, 40 bytes long.
 Data: <&#176;s &#225;    P&#190; &#225;    > B0 73 98 E1 05 02 00 00 50 BE 98 E1 05 02 00 00 
{65} normal block at 0x00000205E1987180, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000205E1987860, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000205E19876D0, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000205E1987630, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000205E19879A0, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000205E1987680, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000205E1986E60, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000205E1986E10, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000205E1986C80, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000205E1986DC0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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