Task 38646957

Name test_105-GPUGRID_TEST_ATM_500_20261023-0-1-RND9257_1
Workunit 31590442
Created 23 Oct 2026, 17:33:27 UTC
Sent 23 Oct 2026, 18:16:27 UTC
Report deadline 28 Oct 2026, 18:16:27 UTC
Received 23 Oct 2026, 18:41:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 18 min 37 sec
CPU time 17 min 24 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.55 MB
Peak swap size 12.96 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:23:04 (32604): wrapper (7.9.26016): starting
21:23:04 (32604): 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
21:23:05 (32604): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:23:05 (32604): 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
21:40:54 (32604): C:/Windows/system32/cmd.exe exited; CPU time 1044.156250
21:40:54 (32604): 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: 21004399 bytes.
Dumping objects ->
{3835275} normal block at 0x000002AAB21534F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000002AAB03D47A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000002AAB03D4730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x000002AAB03D4500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002AAB03D4650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x000002AAB20F7770, 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) : {3835187} normal block at 0x000002AAB03CD7F0, 8 bytes long.
 Data: <  :&#176;&#170;   > 00 00 3A B0 AA 02 00 00 
{3833939} normal block at 0x000002AAB03CDCA0, 8 bytes long.
 Data: < &#185;B&#176;&#170;   > 00 B9 42 B0 AA 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002AAB03CF340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002AAB03C5200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000002AAB03D5970, 16 bytes long.
 Data: <(N=&#176;&#170;           > 28 4E 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AAB03D5920, 16 bytes long.
 Data: < N=&#176;&#170;           > 00 4E 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AAB03D38F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000002AAB03D56A0, 16 bytes long.
 Data: <&#216;M=&#176;&#170;           > D8 4D 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AAB03D5A10, 16 bytes long.
 Data: <&#176;M=&#176;&#170;           > B0 4D 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AAB03D5010, 16 bytes long.
 Data: < M=&#176;&#170;           > 88 4D 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AAB03D5150, 16 bytes long.
 Data: <`M=&#176;&#170;           > 60 4D 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AAB03D4570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000002AAB03D5790, 16 bytes long.
 Data: <H&#243;;&#176;&#170;           > 48 F3 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AAB03D3050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000002AAB03D5EC0, 16 bytes long.
 Data: < &#243;;&#176;&#170;           > 20 F3 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AAB03D5D30, 16 bytes long.
 Data: <&#248;&#242;;&#176;&#170;           > F8 F2 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AAB03D5240, 16 bytes long.
 Data: <&#208;&#242;;&#176;&#170;           > D0 F2 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AAB03D4FC0, 16 bytes long.
 Data: <&#168;&#242;;&#176;&#170;           > A8 F2 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AAB03D51F0, 16 bytes long.
 Data: < &#242;;&#176;&#170;           > 80 F2 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AAB03D5BA0, 16 bytes long.
 Data: <X&#242;;&#176;&#170;           > 58 F2 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AAB03D3710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000002AAB03D5BF0, 16 bytes long.
 Data: <0&#242;;&#176;&#170;           > 30 F2 3B B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AAB03BF230, 320 bytes long.
 Data: <&#240;[=&#176;&#170;    7=&#176;&#170;   > F0 5B 3D B0 AA 02 00 00 10 37 3D B0 AA 02 00 00 
{265} normal block at 0x000002AAB03D5D80, 16 bytes long.
 Data: <@M=&#176;&#170;           > 40 4D 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AAB03D51A0, 16 bytes long.
 Data: < M=&#176;&#170;           > 18 4D 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AAB03D2F90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000002AAB03D5E20, 16 bytes long.
 Data: <&#240;L=&#176;&#170;           > F0 4C 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AAB03D3830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000002AAB03D5740, 16 bytes long.
 Data: <8L=&#176;&#170;           > 38 4C 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AAB03D5C90, 16 bytes long.
 Data: < L=&#176;&#170;           > 10 4C 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AAB03D5380, 16 bytes long.
 Data: <&#232;K=&#176;&#170;           > E8 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002AAB03D4F70, 16 bytes long.
 Data: <&#192;K=&#176;&#170;           > C0 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002AAB03D54C0, 16 bytes long.
 Data: < K=&#176;&#170;           > 98 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002AAB03CDC00, 16 bytes long.
 Data: <pK=&#176;&#170;           > 70 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002AAB03CE420, 16 bytes long.
 Data: < H=&#176;&#170;           > 80 48 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002AAB03D4880, 40 bytes long.
 Data: < &#228;<&#176;&#170;   pw &#178;&#170;   > 20 E4 3C B0 AA 02 00 00 70 77 0F B2 AA 02 00 00 
{251} normal block at 0x000002AAB03CE1A0, 16 bytes long.
 Data: <PK=&#176;&#170;           > 50 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002AAB03CDBB0, 16 bytes long.
 Data: <(K=&#176;&#170;           > 28 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002AAB03D3A70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000002AAB03CE0B0, 16 bytes long.
 Data: < K=&#176;&#170;           > 00 4B 3D B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000002AAB03D4B00, 992 bytes long.
 Data: <&#176;&#224;<&#176;&#170;   p:=&#176;&#170;   > B0 E0 3C B0 AA 02 00 00 70 3A 3D B0 AA 02 00 00 
{83} normal block at 0x000002AAB03BFA20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000002AAB03CDD90, 16 bytes long.
 Data: <  <&#176;&#170;           > 00 8D 3C B0 AA 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002AAB03C8D00, 40 bytes long.
 Data: < &#221;<&#176;&#170;    &#250;;&#176;&#170;   > 90 DD 3C B0 AA 02 00 00 20 FA 3B B0 AA 02 00 00 
{60} normal block at 0x000002AAB03CDA70, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002AAB03CE150, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002AAB03CE3D0, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002AAB03CDCF0, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002AAB03CE290, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002AAB03CE010, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002AAB03CDFC0, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002AAB03CDF70, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002AAB03CDB10, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000002AAB03CD930, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra