Task 38666451

Name test_791-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8434_0
Workunit 31609356
Created 25 Oct 2026, 3:18:27 UTC
Sent 25 Oct 2026, 3:41:47 UTC
Report deadline 30 Oct 2026, 3:41:47 UTC
Received 25 Oct 2026, 10:35:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628119
Run time 38 min 43 sec
CPU time 36 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.70 MB
Peak swap size 12.94 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:46:18 (53984): wrapper (7.9.26016): starting
22:46:18 (53984): 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
22:46:20 (53984): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:46:20 (53984): 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\15\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\15\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
23:23:17 (53984): C:/Windows/system32/cmd.exe exited; CPU time 2168.203125
23:23:17 (53984): 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: 66492579 bytes.
Dumping objects ->
{3835488} normal block at 0x0000025DC385E660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x0000025DC385F0E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x0000025DC385F000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835455} normal block at 0x0000025DC19F5C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x0000025DC19F5C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835413} normal block at 0x0000025DC38AC490, 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) : {3835400} normal block at 0x0000025DC19F0730, 8 bytes long.
 Data: <   &#194;]   > 00 00 01 C2 5D 02 00 00 
{3833967} normal block at 0x0000025DC19F05A0, 8 bytes long.
 Data: <0M&#147;&#195;]   > 30 4D 93 C3 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025DC19F2E60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025DC19E6D70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000025DC19F72A0, 16 bytes long.
 Data: <8v&#159;&#193;]           > 38 76 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025DC19F6530, 16 bytes long.
 Data: < v&#159;&#193;]           > 10 76 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025DC19EEB20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000025DC19F64E0, 16 bytes long.
 Data: <&#232;u&#159;&#193;]           > E8 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025DC19F6490, 16 bytes long.
 Data: <&#192;u&#159;&#193;]           > C0 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025DC19F6DF0, 16 bytes long.
 Data: < u&#159;&#193;]           > 98 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025DC19F6D00, 16 bytes long.
 Data: <pu&#159;&#193;]           > 70 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025DC19F5890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000025DC19F71B0, 16 bytes long.
 Data: <&#232;&#251; &#193;]           > E8 FB 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025DC19EEE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000025DC19F6D50, 16 bytes long.
 Data: <&#192;&#251; &#193;]           > C0 FB 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025DC19F70C0, 16 bytes long.
 Data: < &#251; &#193;]           > 98 FB 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025DC19F6710, 16 bytes long.
 Data: <p&#251; &#193;]           > 70 FB 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025DC19F6440, 16 bytes long.
 Data: <H&#251; &#193;]           > 48 FB 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025DC19F66C0, 16 bytes long.
 Data: < &#251; &#193;]           > 20 FB 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025DC19F68A0, 16 bytes long.
 Data: <&#248;&#250; &#193;]           > F8 FA 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025DC19EE640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000025DC19F7160, 16 bytes long.
 Data: <&#208;&#250; &#193;]           > D0 FA 9D C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025DC19DFAD0, 320 bytes long.
 Data: <`q&#159;&#193;]   @&#230;&#158;&#193;]   > 60 71 9F C1 5D 02 00 00 40 E6 9E C1 5D 02 00 00 
{279} normal block at 0x0000025DC19F6C10, 16 bytes long.
 Data: <Pu&#159;&#193;]           > 50 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025DC19F63F0, 16 bytes long.
 Data: <(u&#159;&#193;]           > 28 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025DC19EEA00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000025DC19F6B20, 16 bytes long.
 Data: < u&#159;&#193;]           > 00 75 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025DC19EE460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000025DC19F6DA0, 16 bytes long.
 Data: <Ht&#159;&#193;]           > 48 74 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025DC19F7110, 16 bytes long.
 Data: < t&#159;&#193;]           > 20 74 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025DC19F7070, 16 bytes long.
 Data: <&#248;s&#159;&#193;]           > F8 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025DC19F6CB0, 16 bytes long.
 Data: <&#208;s&#159;&#193;]           > D0 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025DC19F6B70, 16 bytes long.
 Data: <&#168;s&#159;&#193;]           > A8 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025DC19F6C60, 16 bytes long.
 Data: < s&#159;&#193;]           > 80 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025DC19F6BC0, 16 bytes long.
 Data: <@W&#159;&#193;]           > 40 57 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025DC19F5740, 40 bytes long.
 Data: <&#192;k&#159;&#193;]    &#196;&#138;&#195;]   > C0 6B 9F C1 5D 02 00 00 90 C4 8A C3 5D 02 00 00 
{265} normal block at 0x0000025DC19F6670, 16 bytes long.
 Data: <`s&#159;&#193;]           > 60 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025DC19F6AD0, 16 bytes long.
 Data: <8s&#159;&#193;]           > 38 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025DC19EEB80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000025DC19F7250, 16 bytes long.
 Data: < s&#159;&#193;]           > 10 73 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025DC19F7310, 992 bytes long.
 Data: <Pr&#159;&#193;]    &#235;&#158;&#193;]   > 50 72 9F C1 5D 02 00 00 80 EB 9E C1 5D 02 00 00 
{97} normal block at 0x0000025DC19EE4C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000025DC19F0550, 16 bytes long.
 Data: <&#208;]&#159;&#193;]           > D0 5D 9F C1 5D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025DC19F5DD0, 40 bytes long.
 Data: <P &#159;&#193;]   &#192;&#228;&#158;&#193;]   > 50 05 9F C1 5D 02 00 00 C0 E4 9E C1 5D 02 00 00 
{74} normal block at 0x0000025DC19F0780, 16 bytes long.
 Data: < &#234;&#197;O&#246;           > 80 EA C5 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025DC19F0BE0, 16 bytes long.
 Data: <@&#233;&#197;O&#246;           > 40 E9 C5 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025DC19F06E0, 16 bytes long.
 Data: <&#248;W&#194;O&#246;           > F8 57 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025DC19F0B90, 16 bytes long.
 Data: <&#216;W&#194;O&#246;           > D8 57 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025DC19F0960, 16 bytes long.
 Data: <P &#194;O&#246;           > 50 04 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025DC19F0B40, 16 bytes long.
 Data: <0 &#194;O&#246;           > 30 04 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025DC19F01E0, 16 bytes long.
 Data: <&#224; &#194;O&#246;           > E0 02 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025DC19F0AF0, 16 bytes long.
 Data: <  &#194;O&#246;           > 10 04 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025DC19F04B0, 16 bytes long.
 Data: <p &#194;O&#246;           > 70 04 C2 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025DC19F0FA0, 16 bytes long.
 Data: < &#192;&#192;O&#246;           > 18 C0 C0 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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