Task 38686158

Name test_328-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7091_1
Workunit 31627567
Created 28 Oct 2026, 0:59:12 UTC
Sent 28 Oct 2026, 0:59:13 UTC
Report deadline 2 Nov 2026, 0:59:13 UTC
Received 28 Oct 2026, 1:38:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 19 min 44 sec
CPU time 16 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.37 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:18:36 (32496): wrapper (7.9.26016): starting
02:18:36 (32496): 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
02:18:37 (32496): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:18:37 (32496): 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 'G:\PROGRAM1\BOINC\DATA\slots\0\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 'G:\PROGRAM1\BOINC\DATA\slots\0\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
02:37:47 (32496): C:/Windows/system32/cmd.exe exited; CPU time 993.546875
02:37:47 (32496): 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: 20606825 bytes.
Dumping objects ->
{3835289} normal block at 0x000002342E12A480, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x000002342E12A8E0, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x000002342E105030, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x000002342E104FC0, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x000002342E1053B0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x000002342FDC8B30, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000002342FDDEEF0, 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) : {3835200} normal block at 0x000002342E0FD9A0, 8 bytes long.
 Data: <   .4   > 00 00 0A 2E 34 02 00 00 
{3834573} normal block at 0x000002342FDDEE40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002342E0FDE50, 8 bytes long.
 Data: <P_&#226;/4   > 50 5F E2 2F 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002342E101830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002342E0F6D80, 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 0x000002342E1064E0, 16 bytes long.
 Data: < l .4           > 88 6C 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002342E106490, 16 bytes long.
 Data: <`l .4           > 60 6C 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002342E0FF260, 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 0x000002342E106210, 16 bytes long.
 Data: <8l .4           > 38 6C 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002342E106760, 16 bytes long.
 Data: < l .4           > 10 6C 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002342E106120, 16 bytes long.
 Data: <&#232;k .4           > E8 6B 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002342E1065D0, 16 bytes long.
 Data: <&#192;k .4           > C0 6B 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002342E1052D0, 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 0x000002342E1068A0, 16 bytes long.
 Data: < &#147; .4           > 98 93 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002342E0FF9E0, 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 0x000002342E106030, 16 bytes long.
 Data: <p&#147; .4           > 70 93 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002342E106580, 16 bytes long.
 Data: <H&#147; .4           > 48 93 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002342E105FE0, 16 bytes long.
 Data: < &#147; .4           > 20 93 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002342E106350, 16 bytes long.
 Data: <&#248;&#146; .4           > F8 92 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002342E105F90, 16 bytes long.
 Data: <&#208;&#146; .4           > D0 92 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002342E105D10, 16 bytes long.
 Data: <&#168;&#146; .4           > A8 92 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002342E0FF800, 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 0x000002342E106800, 16 bytes long.
 Data: < &#146; .4           > 80 92 0F 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002342E0F9280, 320 bytes long.
 Data: < h .4    &#248; .4   > 00 68 10 2E 34 02 00 00 00 F8 0F 2E 34 02 00 00 
{278} normal block at 0x000002342E106440, 16 bytes long.
 Data: <&#160;k .4           > A0 6B 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002342E1067B0, 16 bytes long.
 Data: <xk .4           > 78 6B 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002342E0FF920, 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 0x000002342E105DB0, 16 bytes long.
 Data: <Pk .4           > 50 6B 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002342E0FFC20, 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 0x000002342E106530, 16 bytes long.
 Data: < j .4           > 98 6A 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002342E105EF0, 16 bytes long.
 Data: <pj .4           > 70 6A 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002342E106300, 16 bytes long.
 Data: <Hj .4           > 48 6A 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002342E105CC0, 16 bytes long.
 Data: < j .4           > 20 6A 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002342E105C70, 16 bytes long.
 Data: <&#248;i .4           > F8 69 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002342E105EA0, 16 bytes long.
 Data: <&#208;i .4           > D0 69 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002342E1063F0, 16 bytes long.
 Data: < T .4           > 20 54 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002342E105420, 40 bytes long.
 Data: <&#240;c .4   0&#139;&#220;/4   > F0 63 10 2E 34 02 00 00 30 8B DC 2F 34 02 00 00 
{264} normal block at 0x000002342E106670, 16 bytes long.
 Data: <&#176;i .4           > B0 69 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002342E106850, 16 bytes long.
 Data: < i .4           > 88 69 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002342E0FF3E0, 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 0x000002342E1063A0, 16 bytes long.
 Data: <`i .4           > 60 69 10 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002342E106960, 992 bytes long.
 Data: <&#160;c .4   &#224;&#243; .4   > A0 63 10 2E 34 02 00 00 E0 F3 0F 2E 34 02 00 00 
{96} normal block at 0x000002342E0FF200, 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 0x000002342E0FDE00, 16 bytes long.
 Data: <P&#227; .4           > 50 E3 0E 2E 34 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002342E0EE350, 40 bytes long.
 Data: < &#222; .4    &#242; .4   > 00 DE 0F 2E 34 02 00 00 00 F2 0F 2E 34 02 00 00 
{73} normal block at 0x000002342E0FDC70, 16 bytes long.
 Data: < &#234;&#245;7&#246;           > 80 EA F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002342E0FE3A0, 16 bytes long.
 Data: <@&#233;&#245;7&#246;           > 40 E9 F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002342E0FD630, 16 bytes long.
 Data: <&#248;W&#242;7&#246;           > F8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002342E0FE030, 16 bytes long.
 Data: <&#216;W&#242;7&#246;           > D8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002342E0FDA90, 16 bytes long.
 Data: <P &#242;7&#246;           > 50 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002342E0FE0D0, 16 bytes long.
 Data: <0 &#242;7&#246;           > 30 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002342E0FDDB0, 16 bytes long.
 Data: <&#224; &#242;7&#246;           > E0 02 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002342E0FD4F0, 16 bytes long.
 Data: <  &#242;7&#246;           > 10 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002342E0FDB80, 16 bytes long.
 Data: <p &#242;7&#246;           > 70 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002342E0FD8B0, 16 bytes long.
 Data: < &#192;&#240;7&#246;           > 18 C0 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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