Task 38688809

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8481_0
Workunit 31630119
Created 28 Oct 2026, 16:17:36 UTC
Sent 28 Oct 2026, 16:17:41 UTC
Report deadline 2 Nov 2026, 16:17:41 UTC
Received 28 Oct 2026, 17:50:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 21 min 41 sec
CPU time 15 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.15 MB
Peak swap size 11.52 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:32:04 (20364): wrapper (7.9.26016): starting
13:32:04 (20364): 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
13:32:05 (20364): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:32:05 (20364): 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\13\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\13\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
13:49:11 (20364): C:/Windows/system32/cmd.exe exited; CPU time 951.437500
13:49:11 (20364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20460135 bytes.
Dumping objects ->
{3835525} normal block at 0x000001BCD7EB35D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001BCD7EB3720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001BCD7EB3560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000001BCD7EB34F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001BCD7EB3B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001BCD7F8E2F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x000001BCD7F0C570, 140 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) : {3835436} normal block at 0x000001BCD7EAE5D0, 8 bytes long.
 Data: <  V&#216;&#188;   > 00 00 56 D8 BC 01 00 00 
{3834686} normal block at 0x000001BCD7F0C4A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001BCD7EAEE90, 8 bytes long.
 Data: < &#226;&#199;&#217;&#188;   > 90 E2 C7 D9 BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001BCD7EA7930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BCD7E9E650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001BCD7EB46D0, 16 bytes long.
 Data: < Q&#235;&#215;&#188;           > 98 51 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BCD7EB4090, 16 bytes long.
 Data: <pQ&#235;&#215;&#188;           > 70 51 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BCD7EAF9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001BCD7EB48B0, 16 bytes long.
 Data: <HQ&#235;&#215;&#188;           > 48 51 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BCD7EB4BD0, 16 bytes long.
 Data: < Q&#235;&#215;&#188;           > 20 51 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BCD7EB3EB0, 16 bytes long.
 Data: <&#248;P&#235;&#215;&#188;           > F8 50 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BCD7EB4360, 16 bytes long.
 Data: <&#208;P&#235;&#215;&#188;           > D0 50 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BCD7EB3B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001BCD7EB4C70, 16 bytes long.
 Data: <H &#234;&#215;&#188;           > 48 1C EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BCD7EAF710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001BCD7EB4860, 16 bytes long.
 Data: <  &#234;&#215;&#188;           > 20 1C EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BCD7EB4D10, 16 bytes long.
 Data: <&#248; &#234;&#215;&#188;           > F8 1B EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BCD7EB42C0, 16 bytes long.
 Data: <&#208; &#234;&#215;&#188;           > D0 1B EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BCD7EB4220, 16 bytes long.
 Data: <&#168; &#234;&#215;&#188;           > A8 1B EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BCD7EB4720, 16 bytes long.
 Data: <  &#234;&#215;&#188;           > 80 1B EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BCD7EB4540, 16 bytes long.
 Data: <X &#234;&#215;&#188;           > 58 1B EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BCD7EAFEF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001BCD7EB3FF0, 16 bytes long.
 Data: <0 &#234;&#215;&#188;           > 30 1B EA D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BCD7EA1B30, 320 bytes long.
 Data: <&#240;?&#235;&#215;&#188;   &#240;&#254;&#234;&#215;&#188;   > F0 3F EB D7 BC 01 00 00 F0 FE EA D7 BC 01 00 00 
{274} normal block at 0x000001BCD7EB4B80, 16 bytes long.
 Data: <&#176;P&#235;&#215;&#188;           > B0 50 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BCD7EB4B30, 16 bytes long.
 Data: < P&#235;&#215;&#188;           > 88 50 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BCD7EAF6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001BCD7EB3FA0, 16 bytes long.
 Data: <`P&#235;&#215;&#188;           > 60 50 EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BCD7EAFDD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001BCD7EB43B0, 16 bytes long.
 Data: <&#168;O&#235;&#215;&#188;           > A8 4F EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BCD7EB4180, 16 bytes long.
 Data: < O&#235;&#215;&#188;           > 80 4F EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BCD7EB4450, 16 bytes long.
 Data: <XO&#235;&#215;&#188;           > 58 4F EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BCD7EB44F0, 16 bytes long.
 Data: <0O&#235;&#215;&#188;           > 30 4F EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BCD7EB4270, 16 bytes long.
 Data: < O&#235;&#215;&#188;           > 08 4F EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BCD7EB40E0, 16 bytes long.
 Data: <&#224;N&#235;&#215;&#188;           > E0 4E EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BCD7EB49A0, 16 bytes long.
 Data: <&#240;;&#235;&#215;&#188;           > F0 3B EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BCD7EB3BF0, 40 bytes long.
 Data: <&#160;I&#235;&#215;&#188;   &#240;&#226;&#248;&#215;&#188;   > A0 49 EB D7 BC 01 00 00 F0 E2 F8 D7 BC 01 00 00 
{260} normal block at 0x000001BCD7EB4900, 16 bytes long.
 Data: <&#192;N&#235;&#215;&#188;           > C0 4E EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BCD7EB4CC0, 16 bytes long.
 Data: < N&#235;&#215;&#188;           > 98 4E EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BCD7EAFD10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001BCD7EB4130, 16 bytes long.
 Data: <pN&#235;&#215;&#188;           > 70 4E EB D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BCD7EB4E70, 992 bytes long.
 Data: <0A&#235;&#215;&#188;    &#253;&#234;&#215;&#188;   > 30 41 EB D7 BC 01 00 00 10 FD EA D7 BC 01 00 00 
{92} normal block at 0x000001BCD7EAF770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001BCD7EAE1C0, 16 bytes long.
 Data: < &#245;&#233;&#215;&#188;           > 80 F5 E9 D7 BC 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001BCD7E9F580, 40 bytes long.
 Data: <&#192;&#225;&#234;&#215;&#188;   p&#247;&#234;&#215;&#188;   > C0 E1 EA D7 BC 01 00 00 70 F7 EA D7 BC 01 00 00 
{69} normal block at 0x000001BCD7EAE3A0, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BCD7EAE800, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BCD7EAE580, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BCD7EAE440, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BCD7EAE8A0, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BCD7EAE260, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BCD7EAE990, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BCD7EAE300, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BCD7EAE940, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BCD7EAEAD0, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra