Task 38687441

Name test_757-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7794_0
Workunit 31628831
Created 28 Oct 2026, 7:50:44 UTC
Sent 28 Oct 2026, 7:50:51 UTC
Report deadline 2 Nov 2026, 7:50:51 UTC
Received 28 Oct 2026, 9:34:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 54 min 29 sec
CPU time 52 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.46 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
09:38:54 (16964): wrapper (7.9.26016): starting
09:38:54 (16964): 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
09:38:55 (16964): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:38:55 (16964): 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
10:32:59 (16964): C:/Windows/system32/cmd.exe exited; CPU time 3172.859375
10:32:59 (16964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 45052823 bytes.
Dumping objects ->
{3835361} normal block at 0x0000022711080AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000022711081640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x0000022711081410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x0000022711080B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x0000022711080CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x00000227111DC510, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000022711282DA0, 141 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) : {3835272} normal block at 0x000002270F5B7800, 8 bytes long.
 Data: <  	 '   > 00 00 09 11 27 02 00 00 
{3834603} normal block at 0x0000022711282CD0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002270F5B77B0, 8 bytes long.
 Data: <&#240;K  '   > F0 4B 16 11 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002270F5C1A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002270F5A6020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002270F5C36D0, 16 bytes long.
 Data: < ?\ '           > 08 3F 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002270F5C35E0, 16 bytes long.
 Data: <&#224;>\ '           > E0 3E 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002270F5BC610, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002270F5C3590, 16 bytes long.
 Data: <&#184;>\ '           > B8 3E 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002270F5C34A0, 16 bytes long.
 Data: < >\ '           > 90 3E 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002270F5C33B0, 16 bytes long.
 Data: <h>\ '           > 68 3E 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002270F5C3360, 16 bytes long.
 Data: <@>\ '           > 40 3E 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002270F5BD990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002270F5C3310, 16 bytes long.
 Data: <&#184;_Z '           > B8 5F 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002270F5BB9B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002270F5C3270, 16 bytes long.
 Data: < _Z '           > 90 5F 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002270F5C3680, 16 bytes long.
 Data: <h_Z '           > 68 5F 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002270F5C32C0, 16 bytes long.
 Data: <@_Z '           > 40 5F 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002270F5C3220, 16 bytes long.
 Data: < _Z '           > 18 5F 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002270F5C2AF0, 16 bytes long.
 Data: <&#240;^Z '           > F0 5E 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002270F5C3770, 16 bytes long.
 Data: <&#200;^Z '           > C8 5E 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002270F5BBD70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002270F5C31D0, 16 bytes long.
 Data: <&#160;^Z '           > A0 5E 5A 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002270F5A5EA0, 320 bytes long.
 Data: <&#208;1\ '   p&#189;[ '   > D0 31 5C 0F 27 02 00 00 70 BD 5B 0F 27 02 00 00 
{271} normal block at 0x000002270F5C2870, 16 bytes long.
 Data: < >\ '           > 20 3E 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002270F5C3180, 16 bytes long.
 Data: <&#248;=\ '           > F8 3D 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002270F5BBE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002270F5C2A00, 16 bytes long.
 Data: <&#208;=\ '           > D0 3D 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002270F5BBDD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002270F5C3540, 16 bytes long.
 Data: < =\ '           > 18 3D 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002270F5C2C80, 16 bytes long.
 Data: <&#240;<\ '           > F0 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002270F5C2C30, 16 bytes long.
 Data: <&#200;<\ '           > C8 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002270F5C2EB0, 16 bytes long.
 Data: <&#160;<\ '           > A0 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002270F5C2DC0, 16 bytes long.
 Data: <x<\ '           > 78 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002270F5C30E0, 16 bytes long.
 Data: <P<\ '           > 50 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002270F5C2F50, 16 bytes long.
 Data: <@&#216;[ '           > 40 D8 5B 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002270F5BD840, 40 bytes long.
 Data: <P/\ '    &#197;  '   > 50 2F 5C 0F 27 02 00 00 10 C5 1D 11 27 02 00 00 
{257} normal block at 0x000002270F5C2E60, 16 bytes long.
 Data: <0<\ '           > 30 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002270F5C34F0, 16 bytes long.
 Data: < <\ '           > 08 3C 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002270F5BBB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002270F5C3090, 16 bytes long.
 Data: <&#224;;\ '           > E0 3B 5C 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002270F5C3BE0, 992 bytes long.
 Data: < 0\ '   0&#187;[ '   > 90 30 5C 0F 27 02 00 00 30 BB 5B 0F 27 02 00 00 
{89} normal block at 0x000002270F5BBC50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002270F5B7710, 16 bytes long.
 Data: <&#176;&#216;[ '           > B0 D8 5B 0F 27 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002270F5BD8B0, 40 bytes long.
 Data: < w[ '   P&#188;[ '   > 10 77 5B 0F 27 02 00 00 50 BC 5B 0F 27 02 00 00 
{66} normal block at 0x000002270F5B6CC0, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002270F5B73F0, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002270F5B7350, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002270F5B6EA0, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002270F5B7530, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002270F5B7300, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002270F5B74E0, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002270F5B69A0, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002270F5B76C0, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002270F5B72B0, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra