Task 38675954

Name test_508-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4927_0
Workunit 31617896
Created 26 Oct 2026, 9:49:04 UTC
Sent 26 Oct 2026, 9:49:14 UTC
Report deadline 31 Oct 2026, 9:49:14 UTC
Received 26 Oct 2026, 12:04:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 1 hours 13 min 57 sec
CPU time 1 hours 8 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.29 MB
Peak swap size 5.31 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:52:42 (1936): wrapper (7.9.26016): starting
04:52:42 (1936): 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
04:52:46 (1936): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:52:46 (1936): 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\10\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\10\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
06:03:48 (1936): C:/Windows/system32/cmd.exe exited; CPU time 4138.765625
06:03:48 (1936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 49413663 bytes.
Dumping objects ->
{3835251} normal block at 0x0000024ECF7008B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000024ECF701560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000024ECF701480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000024ECF700A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000024ECF701640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x0000024ECF843FA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000024ECDD13260, 235 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) : {3835162} normal block at 0x0000024ECDD072D0, 8 bytes long.
 Data: <  q&#207;N   > 00 00 71 CF 4E 02 00 00 
{3834555} normal block at 0x0000024ECDD12C70, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000024ECDD07780, 8 bytes long.
 Data: < &&#138;&#207;N   > 10 26 8A CF 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024ECDD10600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024ECDCF5B40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000024ECDD122C0, 16 bytes long.
 Data: < ;&#209;&#205;N           > 08 3B D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024ECDD12270, 16 bytes long.
 Data: <&#224;:&#209;&#205;N           > E0 3A D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024ECDD0D0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000024ECDD11A00, 16 bytes long.
 Data: <&#184;:&#209;&#205;N           > B8 3A D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024ECDD11E60, 16 bytes long.
 Data: < :&#209;&#205;N           > 90 3A D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024ECDD11FA0, 16 bytes long.
 Data: <h:&#209;&#205;N           > 68 3A D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024ECDD11E10, 16 bytes long.
 Data: <@:&#209;&#205;N           > 40 3A D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024ECDD0B680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000024ECDD11960, 16 bytes long.
 Data: <&#216;Z&#207;&#205;N           > D8 5A CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024ECDD0D450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000024ECDD11DC0, 16 bytes long.
 Data: <&#176;Z&#207;&#205;N           > B0 5A CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024ECDD11F50, 16 bytes long.
 Data: < Z&#207;&#205;N           > 88 5A CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024ECDD11B90, 16 bytes long.
 Data: <`Z&#207;&#205;N           > 60 5A CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024ECDD12180, 16 bytes long.
 Data: <8Z&#207;&#205;N           > 38 5A CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024ECDD11C30, 16 bytes long.
 Data: < Z&#207;&#205;N           > 10 5A CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024ECDD11910, 16 bytes long.
 Data: <&#232;Y&#207;&#205;N           > E8 59 CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024ECDD0CC70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000024ECDD12040, 16 bytes long.
 Data: <&#192;Y&#207;&#205;N           > C0 59 CF CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024ECDCF59C0, 320 bytes long.
 Data: <@ &#209;&#205;N   p&#204;&#208;&#205;N   > 40 20 D1 CD 4E 02 00 00 70 CC D0 CD 4E 02 00 00 
{268} normal block at 0x0000024ECDD11D70, 16 bytes long.
 Data: < :&#209;&#205;N           > 20 3A D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024ECDD11870, 16 bytes long.
 Data: <&#248;9&#209;&#205;N           > F8 39 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024ECDD0D270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000024ECDD116E0, 16 bytes long.
 Data: <&#208;9&#209;&#205;N           > D0 39 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024ECDD0D2D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000024ECDD11500, 16 bytes long.
 Data: < 9&#209;&#205;N           > 18 39 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024ECDD11F00, 16 bytes long.
 Data: <&#240;8&#209;&#205;N           > F0 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024ECDD11820, 16 bytes long.
 Data: <&#200;8&#209;&#205;N           > C8 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024ECDD12130, 16 bytes long.
 Data: <&#160;8&#209;&#205;N           > A0 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024ECDD11690, 16 bytes long.
 Data: <x8&#209;&#205;N           > 78 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024ECDD11AA0, 16 bytes long.
 Data: <P8&#209;&#205;N           > 50 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024ECDD117D0, 16 bytes long.
 Data: <P&#187;&#208;&#205;N           > 50 BB D0 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024ECDD0BB50, 40 bytes long.
 Data: <&#208; &#209;&#205;N   &#160;?&#132;&#207;N   > D0 17 D1 CD 4E 02 00 00 A0 3F 84 CF 4E 02 00 00 
{254} normal block at 0x0000024ECDD12220, 16 bytes long.
 Data: <08&#209;&#205;N           > 30 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024ECDD120E0, 16 bytes long.
 Data: < 8&#209;&#205;N           > 08 38 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024ECDD0D630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000024ECDD11550, 16 bytes long.
 Data: <&#224;7&#209;&#205;N           > E0 37 D1 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000024ECDD137E0, 992 bytes long.
 Data: <P &#209;&#205;N   0&#214;&#208;&#205;N   > 50 15 D1 CD 4E 02 00 00 30 D6 D0 CD 4E 02 00 00 
{86} normal block at 0x0000024ECDD0CF70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000024ECDD07320, 16 bytes long.
 Data: <@&#184;&#208;&#205;N           > 40 B8 D0 CD 4E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000024ECDD0B840, 40 bytes long.
 Data: < s&#208;&#205;N   p&#207;&#208;&#205;N   > 20 73 D0 CD 4E 02 00 00 70 CF D0 CD 4E 02 00 00 
{63} normal block at 0x0000024ECDD07730, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024ECDD070F0, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024ECDD076E0, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024ECDD06BF0, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024ECDD07690, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024ECDD074B0, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024ECDD06880, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024ECDD077D0, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024ECDD071E0, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024ECDD06920, 16 bytes long.
 Data: < &#192;!&#243;&#247;           > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra