Task 38687295

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2706_0
Workunit 31628689
Created 28 Oct 2026, 7:00:22 UTC
Sent 28 Oct 2026, 7:00:29 UTC
Report deadline 2 Nov 2026, 7:00:29 UTC
Received 28 Oct 2026, 8:09:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 7 min 26 sec
CPU time 1 hours 4 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.77 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:02:08 (2124): wrapper (7.9.26016): starting
02:02:08 (2124): 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
02:02:09 (2124): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:02:09 (2124): 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\8\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\8\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
03:09:09 (2124): C:/Windows/system32/cmd.exe exited; CPU time 3853.156250
03:09:09 (2124): 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: 48083699 bytes.
Dumping objects ->
{3835176} normal block at 0x00000192885E65C0, 48 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 0x00000192885E68D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000192885E67F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x00000192885E7120, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x00000192885E6940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x000001928A035A40, 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) : {3835088} normal block at 0x00000192885B85C0, 8 bytes long.
 Data: <  V &#146;   > 00 00 56 88 92 01 00 00 
{3833945} normal block at 0x00000192885B81B0, 8 bytes long.
 Data: <&#240;&	&#138;&#146;   > F0 26 09 8A 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000192885C2220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000192885AB700, 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 0x00000192885C3AD0, 16 bytes long.
 Data: < C\ &#146;           > 18 43 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000192885C3A80, 16 bytes long.
 Data: <&#240;B\ &#146;           > F0 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000192885BE220, 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 0x00000192885C3300, 16 bytes long.
 Data: <&#200;B\ &#146;           > C8 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000192885C3670, 16 bytes long.
 Data: <&#160;B\ &#146;           > A0 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000192885C3A30, 16 bytes long.
 Data: <xB\ &#146;           > 78 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000192885C32B0, 16 bytes long.
 Data: <PB\ &#146;           > 50 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000192885BC9B0, 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 0x00000192885C3990, 16 bytes long.
 Data: <X[Z &#146;           > 58 5B 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000192885BE2E0, 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 0x00000192885C3E40, 16 bytes long.
 Data: <0[Z &#146;           > 30 5B 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000192885C3BC0, 16 bytes long.
 Data: < [Z &#146;           > 08 5B 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000192885C38F0, 16 bytes long.
 Data: <&#224;ZZ &#146;           > E0 5A 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000192885C3530, 16 bytes long.
 Data: <&#184;ZZ &#146;           > B8 5A 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000192885C38A0, 16 bytes long.
 Data: < ZZ &#146;           > 90 5A 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000192885C3440, 16 bytes long.
 Data: <hZZ &#146;           > 68 5A 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000192885BE0A0, 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 0x00000192885C33F0, 16 bytes long.
 Data: <@ZZ &#146;           > 40 5A 5A 88 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000192885A5A40, 320 bytes long.
 Data: <&#240;3\ &#146;   &#160;&#224;[ &#146;   > F0 33 5C 88 92 01 00 00 A0 E0 5B 88 92 01 00 00 
{268} normal block at 0x00000192885C3DF0, 16 bytes long.
 Data: <0B\ &#146;           > 30 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000192885C3E90, 16 bytes long.
 Data: < B\ &#146;           > 08 42 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000192885BDB00, 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 0x00000192885C3D50, 16 bytes long.
 Data: <&#224;A\ &#146;           > E0 41 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000192885BE4C0, 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 0x00000192885C34E0, 16 bytes long.
 Data: <(A\ &#146;           > 28 41 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000192885C3850, 16 bytes long.
 Data: < A\ &#146;           > 00 41 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000192885C33A0, 16 bytes long.
 Data: <&#216;@\ &#146;           > D8 40 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000192885C3490, 16 bytes long.
 Data: <&#176;@\ &#146;           > B0 40 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000192885C39E0, 16 bytes long.
 Data: < @\ &#146;           > 88 40 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000192885C3710, 16 bytes long.
 Data: <`@\ &#146;           > 60 40 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000192885C3DA0, 16 bytes long.
 Data: <&#240;&#199;[ &#146;           > F0 C7 5B 88 92 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000192885BC7F0, 40 bytes long.
 Data: <&#160;=\ &#146;   @Z &#138;&#146;   > A0 3D 5C 88 92 01 00 00 40 5A 03 8A 92 01 00 00 
{254} normal block at 0x00000192885C37B0, 16 bytes long.
 Data: <@@\ &#146;           > 40 40 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000192885C3B70, 16 bytes long.
 Data: < @\ &#146;           > 18 40 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000192885BE460, 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 0x00000192885C3350, 16 bytes long.
 Data: <&#240;?\ &#146;           > F0 3F 5C 88 92 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000192885C3FF0, 992 bytes long.
 Data: <P3\ &#146;   `&#228;[ &#146;   > 50 33 5C 88 92 01 00 00 60 E4 5B 88 92 01 00 00 
{86} normal block at 0x00000192885BDE00, 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 0x00000192885B8160, 16 bytes long.
 Data: <&#160;&#198;[ &#146;           > A0 C6 5B 88 92 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000192885BC6A0, 40 bytes long.
 Data: <` [ &#146;    &#222;[ &#146;   > 60 81 5B 88 92 01 00 00 00 DE 5B 88 92 01 00 00 
{63} normal block at 0x00000192885B7EE0, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000192885B80C0, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000192885B7850, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000192885B8570, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000192885B8340, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000192885B8070, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000192885B84D0, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000192885B8480, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000192885B7E90, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000192885B7F80, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra