Task 38659790

Name test_1702-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4108_0
Workunit 31603329
Created 24 Oct 2026, 13:37:05 UTC
Sent 24 Oct 2026, 16:23:48 UTC
Report deadline 29 Oct 2026, 16:23:48 UTC
Received 24 Oct 2026, 21:52:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654255
Run time 32 min 58 sec
CPU time 31 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.39 MB
Peak swap size 5.35 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:32:58 (33748): wrapper (7.9.26016): starting
19:32:58 (33748): 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
19:32:59 (33748): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:32:59 (33748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
  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
20:04:52 (33748): C:/Windows/system32/cmd.exe exited; CPU time 1886.515625
20:04:52 (33748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 41248446 bytes.
Dumping objects ->
{3835293} normal block at 0x000002090A532110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835282} normal block at 0x000002090A5320A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x0000020908927670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835260} normal block at 0x0000020908927750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000020908927600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835218} normal block at 0x000002090A5A80C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002090A5C0400, 85 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) : {3835204} normal block at 0x000002090891E260, 8 bytes long.
 Data: <  &#213; 	   > 00 00 D5 08 09 02 00 00 
{3834576} normal block at 0x000002090A5C0360, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002090891E940, 8 bytes long.
 Data: < {c 	   > 80 7B 63 0A 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020908922260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020908917350, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020908927DA0, 16 bytes long.
 Data: <  &#146; 	           > 88 90 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020908928570, 16 bytes long.
 Data: <` &#146; 	           > 60 90 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002090891FD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020908928AC0, 16 bytes long.
 Data: <8 &#146; 	           > 38 90 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000209089284D0, 16 bytes long.
 Data: <  &#146; 	           > 10 90 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020908927F30, 16 bytes long.
 Data: <&#232; &#146; 	           > E8 8F 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020908928CF0, 16 bytes long.
 Data: <&#192; &#146; 	           > C0 8F 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020908927BB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020908928480, 16 bytes long.
 Data: <&#232; &#145; 	           > E8 98 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020908920630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020908928390, 16 bytes long.
 Data: <&#192; &#145; 	           > C0 98 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020908928C00, 16 bytes long.
 Data: <  &#145; 	           > 98 98 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020908928110, 16 bytes long.
 Data: <p &#145; 	           > 70 98 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020908928520, 16 bytes long.
 Data: <H &#145; 	           > 48 98 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000209089282A0, 16 bytes long.
 Data: <  &#145; 	           > 20 98 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020908927DF0, 16 bytes long.
 Data: <&#248;&#151;&#145; 	           > F8 97 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002090891FEB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020908928610, 16 bytes long.
 Data: <&#208;&#151;&#145; 	           > D0 97 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000209089197D0, 320 bytes long.
 Data: < &#134;&#146; 	   &#176;&#254;&#145; 	   > 10 86 92 08 09 02 00 00 B0 FE 91 08 09 02 00 00 
{280} normal block at 0x0000020908928250, 16 bytes long.
 Data: <&#160; &#146; 	           > A0 8F 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000209089282F0, 16 bytes long.
 Data: <x &#146; 	           > 78 8F 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020908920330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020908928430, 16 bytes long.
 Data: <P &#146; 	           > 50 8F 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020908920270, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000209089280C0, 16 bytes long.
 Data: < &#142;&#146; 	           > 98 8E 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020908928A20, 16 bytes long.
 Data: <p&#142;&#146; 	           > 70 8E 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020908927EE0, 16 bytes long.
 Data: <H&#142;&#146; 	           > 48 8E 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020908928C50, 16 bytes long.
 Data: < &#142;&#146; 	           > 20 8E 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020908928980, 16 bytes long.
 Data: <&#248; &#146; 	           > F8 8D 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020908928020, 16 bytes long.
 Data: <&#208; &#146; 	           > D0 8D 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020908928200, 16 bytes long.
 Data: <&#192;w&#146; 	           > C0 77 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000209089277C0, 40 bytes long.
 Data: < &#130;&#146; 	   &#192; Z 	   > 00 82 92 08 09 02 00 00 C0 80 5A 0A 09 02 00 00 
{266} normal block at 0x0000020908928660, 16 bytes long.
 Data: <&#176; &#146; 	           > B0 8D 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000209089283E0, 16 bytes long.
 Data: <  &#146; 	           > 88 8D 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020908920210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020908928070, 16 bytes long.
 Data: <` &#146; 	           > 60 8D 92 08 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020908928D60, 992 bytes long.
 Data: <p &#146; 	     &#146; 	   > 70 80 92 08 09 02 00 00 10 02 92 08 09 02 00 00 
{98} normal block at 0x0000020908920150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002090891E300, 16 bytes long.
 Data: <  &#145; 	           > 10 01 91 08 09 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020908910110, 40 bytes long.
 Data: < &#227;&#145; 	   P &#146; 	   > 00 E3 91 08 09 02 00 00 50 01 92 08 09 02 00 00 
{75} normal block at 0x000002090891E030, 16 bytes long.
 Data: < &#234;&#218;&#248;&#246;           > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002090891E490, 16 bytes long.
 Data: <@&#233;&#218;&#248;&#246;           > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002090891DDB0, 16 bytes long.
 Data: <&#248;W&#215;&#248;&#246;           > F8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002090891DBD0, 16 bytes long.
 Data: <&#216;W&#215;&#248;&#246;           > D8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002090891E580, 16 bytes long.
 Data: <P &#215;&#248;&#246;           > 50 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002090891E3F0, 16 bytes long.
 Data: <0 &#215;&#248;&#246;           > 30 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002090891DF90, 16 bytes long.
 Data: <&#224; &#215;&#248;&#246;           > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002090891DD10, 16 bytes long.
 Data: <  &#215;&#248;&#246;           > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002090891E990, 16 bytes long.
 Data: <p &#215;&#248;&#246;           > 70 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002090891E530, 16 bytes long.
 Data: < &#192;&#213;&#248;&#246;           > 18 C0 D5 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra