Task 38679848

Name test_92-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3868_0
Workunit 31621608
Created 26 Oct 2026, 21:59:17 UTC
Sent 26 Oct 2026, 21:59:22 UTC
Report deadline 31 Oct 2026, 21:59:22 UTC
Received 27 Oct 2026, 0:48:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613000
Run time 1 hours 2 min 29 sec
CPU time 1 hours 2 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 3,094.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.35 MB
Peak swap size 2.17 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:36:35 (11736): wrapper (7.9.26016): starting
05:36:35 (11736): 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
05:37:06 (11736): Library/usr/bin/tar.exe exited; CPU time 0.031250
05:37:06 (11736): 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\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:\ProgramData\BOINC\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
07:47:40 (11736): C:/Windows/system32/cmd.exe exited; CPU time 3749.718750
07:47:40 (11736): 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: 135767733 bytes.
Dumping objects ->
{3835216} normal block at 0x0000014E79EC1560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000014E79EC1640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000014E79EC1090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835183} normal block at 0x0000014E79EC0BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000014E79EC07D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835141} normal block at 0x0000014E79FB6310, 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) : {3835128} normal block at 0x0000014E78547DF0, 8 bytes long.
 Data: <  PxN   > 00 00 50 78 4E 01 00 00 
{3833963} normal block at 0x0000014E78547F80, 8 bytes long.
 Data: <@M zN   > 40 4D 04 7A 4E 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000014E78553EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014E78536A50, 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 0x0000014E78555200, 16 bytes long.
 Data: <&#168;qUxN           > A8 71 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014E78555C00, 16 bytes long.
 Data: < qUxN           > 80 71 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014E7854CB30, 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 0x0000014E78555520, 16 bytes long.
 Data: <XqUxN           > 58 71 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014E78555390, 16 bytes long.
 Data: <0qUxN           > 30 71 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014E78555840, 16 bytes long.
 Data: < qUxN           > 08 71 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014E78555A20, 16 bytes long.
 Data: <&#224;pUxN           > E0 70 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014E7854D9A0, 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 0x0000014E785557A0, 16 bytes long.
 Data: <&#232;iSxN           > E8 69 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014E7854CE30, 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 0x0000014E78555160, 16 bytes long.
 Data: <&#192;iSxN           > C0 69 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014E78555110, 16 bytes long.
 Data: < iSxN           > 98 69 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014E785550C0, 16 bytes long.
 Data: <piSxN           > 70 69 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014E78555070, 16 bytes long.
 Data: <HiSxN           > 48 69 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014E785558E0, 16 bytes long.
 Data: < iSxN           > 20 69 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014E78554DF0, 16 bytes long.
 Data: <&#248;hSxN           > F8 68 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014E7854CAD0, 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 0x0000014E785559D0, 16 bytes long.
 Data: <&#208;hSxN           > D0 68 53 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014E785368D0, 320 bytes long.
 Data: <&#208;YUxN   &#208;&#202;TxN   > D0 59 55 78 4E 01 00 00 D0 CA 54 78 4E 01 00 00 
{277} normal block at 0x0000014E78554FD0, 16 bytes long.
 Data: <&#192;pUxN           > C0 70 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014E78555980, 16 bytes long.
 Data: < pUxN           > 98 70 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014E7854C5F0, 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 0x0000014E785553E0, 16 bytes long.
 Data: <ppUxN           > 70 70 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014E7854C7D0, 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 0x0000014E78555020, 16 bytes long.
 Data: <&#184;oUxN           > B8 6F 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014E78555890, 16 bytes long.
 Data: < oUxN           > 90 6F 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014E78554D00, 16 bytes long.
 Data: <hoUxN           > 68 6F 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014E78555750, 16 bytes long.
 Data: <@oUxN           > 40 6F 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014E78554D50, 16 bytes long.
 Data: < oUxN           > 18 6F 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014E78555BB0, 16 bytes long.
 Data: <&#240;nUxN           > F0 6E 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014E78555B10, 16 bytes long.
 Data: <p&#215;TxN           > 70 D7 54 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014E7854D770, 40 bytes long.
 Data: < [UxN    c&#251;yN   > 10 5B 55 78 4E 01 00 00 10 63 FB 79 4E 01 00 00 
{263} normal block at 0x0000014E78555480, 16 bytes long.
 Data: <&#208;nUxN           > D0 6E 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014E78555B60, 16 bytes long.
 Data: <&#168;nUxN           > A8 6E 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014E7854CA10, 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 0x0000014E78554EE0, 16 bytes long.
 Data: < nUxN           > 80 6E 55 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014E78556E80, 992 bytes long.
 Data: <&#224;NUxN    &#202;TxN   > E0 4E 55 78 4E 01 00 00 10 CA 54 78 4E 01 00 00 
{95} normal block at 0x0000014E7854CD70, 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 0x0000014E78547850, 16 bytes long.
 Data: < &#215;TxN           > 00 D7 54 78 4E 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000014E7854D700, 40 bytes long.
 Data: <PxTxN   p&#205;TxN   > 50 78 54 78 4E 01 00 00 70 CD 54 78 4E 01 00 00 
{72} normal block at 0x0000014E78548520, 16 bytes long.
 Data: < &#234;&#239;&#194;&#247;           > 80 EA EF C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000014E78548430, 16 bytes long.
 Data: <@&#233;&#239;&#194;&#247;           > 40 E9 EF C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014E785483E0, 16 bytes long.
 Data: <&#248;W&#236;&#194;&#247;           > F8 57 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014E78547DA0, 16 bytes long.
 Data: <&#216;W&#236;&#194;&#247;           > D8 57 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014E78547EE0, 16 bytes long.
 Data: <P &#236;&#194;&#247;           > 50 04 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014E785478F0, 16 bytes long.
 Data: <0 &#236;&#194;&#247;           > 30 04 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014E78547AD0, 16 bytes long.
 Data: <&#224; &#236;&#194;&#247;           > E0 02 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014E78547A80, 16 bytes long.
 Data: <  &#236;&#194;&#247;           > 10 04 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014E78548340, 16 bytes long.
 Data: <p &#236;&#194;&#247;           > 70 04 EC C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014E78547D50, 16 bytes long.
 Data: < &#192;&#234;&#194;&#247;           > 18 C0 EA C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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