Task 38663677

Name test_679-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7289_0
Workunit 31606874
Created 24 Oct 2026, 22:28:40 UTC
Sent 24 Oct 2026, 22:28:48 UTC
Report deadline 29 Oct 2026, 22:28:48 UTC
Received 24 Oct 2026, 23:36:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 23 min 24 sec
CPU time 22 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.91 MB
Peak swap size 8.40 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:11:51 (4960): wrapper (7.9.26016): starting
19:11:51 (4960): 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
19:11:52 (4960): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:11:52 (4960): 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\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 'C:\ProgramData\BOINC\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
19:34:33 (4960): C:/Windows/system32/cmd.exe exited; CPU time 1337.484375
19:34:33 (4960): 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: 26219609 bytes.
Dumping objects ->
{3835219} normal block at 0x00000260729D4B60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000260729D4AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000260729D48C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000260729D47E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000260729D4770, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000026074655FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002607466E940, 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) : {3835130} normal block at 0x00000260729CEE80, 8 bytes long.
 Data: <  &#219;r`   > 00 00 DB 72 60 02 00 00 
{3834528} normal block at 0x000002607466EE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000260729CE8E0, 8 bytes long.
 Data: <0&#175;&#159;r`   > 30 AF 9F 72 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000260729D04A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000260729C5F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000260729D5680, 16 bytes long.
 Data: <&#248;e r`           > F8 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000260729D5810, 16 bytes long.
 Data: <&#208;e r`           > D0 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000260729D0010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000260729D5770, 16 bytes long.
 Data: <&#168;e r`           > A8 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000260729D5A40, 16 bytes long.
 Data: < e r`           > 80 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000260729D5860, 16 bytes long.
 Data: <Xe r`           > 58 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000260729D5E00, 16 bytes long.
 Data: <0e r`           > 30 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000260729D4CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000260729D5720, 16 bytes long.
 Data: < &#142;&#156;r`           > 18 8E 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000260729D0130, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000260729D5FE0, 16 bytes long.
 Data: <&#240; &#156;r`           > F0 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000260729D5EF0, 16 bytes long.
 Data: <&#200; &#156;r`           > C8 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000260729D5630, 16 bytes long.
 Data: <&#160; &#156;r`           > A0 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000260729D6120, 16 bytes long.
 Data: <x &#156;r`           > 78 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000260729D56D0, 16 bytes long.
 Data: <P &#156;r`           > 50 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000260729D5D60, 16 bytes long.
 Data: <( &#156;r`           > 28 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000260729CFC50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000260729D6210, 16 bytes long.
 Data: <  &#156;r`           > 00 8D 9C 72 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000260729C8D00, 320 bytes long.
 Data: < b r`   P&#252;&#156;r`   > 10 62 9D 72 60 02 00 00 50 FC 9C 72 60 02 00 00 
{269} normal block at 0x00000260729D57C0, 16 bytes long.
 Data: < e r`           > 10 65 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000260729D53B0, 16 bytes long.
 Data: <&#232;d r`           > E8 64 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000260729CF710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000260729D5F90, 16 bytes long.
 Data: <&#192;d r`           > C0 64 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000260729CFE30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000260729D5AE0, 16 bytes long.
 Data: < d r`           > 08 64 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000260729D54F0, 16 bytes long.
 Data: <&#224;c r`           > E0 63 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000260729D5DB0, 16 bytes long.
 Data: <&#184;c r`           > B8 63 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000260729D59F0, 16 bytes long.
 Data: < c r`           > 90 63 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000260729D61C0, 16 bytes long.
 Data: <hc r`           > 68 63 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000260729D6030, 16 bytes long.
 Data: <@c r`           > 40 63 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000260729D5900, 16 bytes long.
 Data: <0I r`           > 30 49 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000260729D4930, 40 bytes long.
 Data: < Y r`   &#192;_et`   > 00 59 9D 72 60 02 00 00 C0 5F 65 74 60 02 00 00 
{255} normal block at 0x00000260729D5450, 16 bytes long.
 Data: < c r`           > 20 63 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000260729D5EA0, 16 bytes long.
 Data: <&#248;b r`           > F8 62 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000260729CF8F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000260729D5400, 16 bytes long.
 Data: <&#208;b r`           > D0 62 9D 72 60 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000260729D62D0, 992 bytes long.
 Data: < T r`   &#240;&#248;&#156;r`   > 00 54 9D 72 60 02 00 00 F0 F8 9C 72 60 02 00 00 
{87} normal block at 0x00000260729D0250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000260729CE660, 16 bytes long.
 Data: <&#160;&#210;&#155;r`           > A0 D2 9B 72 60 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000260729BD2A0, 40 bytes long.
 Data: <`&#230;&#156;r`   P  r`   > 60 E6 9C 72 60 02 00 00 50 02 9D 72 60 02 00 00 
{64} normal block at 0x00000260729CE570, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000260729CF150, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000260729CE980, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000260729CEB60, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000260729CE7F0, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000260729CEE30, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000260729CE520, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000260729CE4D0, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000260729CECA0, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000260729CE7A0, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra