Task 38680273

Name test_291-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9472_0
Workunit 31622002
Created 26 Oct 2026, 23:23:36 UTC
Sent 26 Oct 2026, 23:23:39 UTC
Report deadline 31 Oct 2026, 23:23:39 UTC
Received 27 Oct 2026, 0:18:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 20 min 44 sec
CPU time 17 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.29 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:57:36 (26264): wrapper (7.9.26016): starting
00:57:36 (26264): 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
00:57:37 (26264): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:57:37 (26264): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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: Exiting with failure status due to previous errors
01:17:49 (26264): C:/Windows/system32/cmd.exe exited; CPU time 1079.406250
01:17:49 (26264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22352949 bytes.
Dumping objects ->
{3835289} normal block at 0x000001A49BC4E780, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x000001A49BC4EA90, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x000001A499F46A10, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x000001A499F46850, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x000001A499F467E0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x000001A49BC97090, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000001A49BCB0950, 102 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) : {3835200} normal block at 0x000001A499F3F5C0, 8 bytes long.
 Data: <  &#237; &#164;   > 00 00 ED 99 A4 01 00 00 
{3834573} normal block at 0x000001A49BCB0270, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001A499F3F430, 8 bytes long.
 Data: < i&#210;&#155;&#164;   > 90 69 D2 9B A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A499F43210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A499F2EA80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001A499F47830, 16 bytes long.
 Data: <&#216;&#132;&#244; &#164;           > D8 84 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A499F480A0, 16 bytes long.
 Data: <&#176;&#132;&#244; &#164;           > B0 84 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A499F412A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001A499F478D0, 16 bytes long.
 Data: < &#132;&#244; &#164;           > 88 84 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A499F47F60, 16 bytes long.
 Data: <`&#132;&#244; &#164;           > 60 84 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A499F476F0, 16 bytes long.
 Data: <8&#132;&#244; &#164;           > 38 84 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A499F476A0, 16 bytes long.
 Data: < &#132;&#244; &#164;           > 10 84 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A499F46A80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001A499F47880, 16 bytes long.
 Data: <&#168;m&#244; &#164;           > A8 6D F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A499F41240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001A499F47AB0, 16 bytes long.
 Data: < m&#244; &#164;           > 80 6D F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A499F47E20, 16 bytes long.
 Data: <Xm&#244; &#164;           > 58 6D F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A499F47650, 16 bytes long.
 Data: <0m&#244; &#164;           > 30 6D F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A499F47600, 16 bytes long.
 Data: < m&#244; &#164;           > 08 6D F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A499F48000, 16 bytes long.
 Data: <&#224;l&#244; &#164;           > E0 6C F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A499F47920, 16 bytes long.
 Data: <&#184;l&#244; &#164;           > B8 6C F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A499F407C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001A499F47C90, 16 bytes long.
 Data: < l&#244; &#164;           > 90 6C F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A499F46C90, 320 bytes long.
 Data: < |&#244; &#164;   &#192; &#244; &#164;   > 90 7C F4 99 A4 01 00 00 C0 07 F4 99 A4 01 00 00 
{278} normal block at 0x000001A499F47E70, 16 bytes long.
 Data: <&#240;&#131;&#244; &#164;           > F0 83 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A499F47740, 16 bytes long.
 Data: <&#200;&#131;&#244; &#164;           > C8 83 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A499F40F40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001A499F47330, 16 bytes long.
 Data: <&#160;&#131;&#244; &#164;           > A0 83 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A499F411E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001A499F47510, 16 bytes long.
 Data: <&#232;&#130;&#244; &#164;           > E8 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A499F47DD0, 16 bytes long.
 Data: <&#192;&#130;&#244; &#164;           > C0 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A499F47A60, 16 bytes long.
 Data: < &#130;&#244; &#164;           > 98 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A499F475B0, 16 bytes long.
 Data: <p&#130;&#244; &#164;           > 70 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A499F47D80, 16 bytes long.
 Data: <H&#130;&#244; &#164;           > 48 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A499F47420, 16 bytes long.
 Data: < &#130;&#244; &#164;           > 20 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A499F473D0, 16 bytes long.
 Data: <&#208;d&#244; &#164;           > D0 64 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A499F464D0, 40 bytes long.
 Data: <&#208;s&#244; &#164;    p&#201;&#155;&#164;   > D0 73 F4 99 A4 01 00 00 90 70 C9 9B A4 01 00 00 
{264} normal block at 0x000001A499F477E0, 16 bytes long.
 Data: < &#130;&#244; &#164;           > 00 82 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A499F47380, 16 bytes long.
 Data: <&#216; &#244; &#164;           > D8 81 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A499F40EE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001A499F47FB0, 16 bytes long.
 Data: <&#176; &#244; &#164;           > B0 81 F4 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A499F481B0, 992 bytes long.
 Data: <&#176; &#244; &#164;   &#224; &#244; &#164;   > B0 7F F4 99 A4 01 00 00 E0 0E F4 99 A4 01 00 00 
{96} normal block at 0x000001A499F41180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001A499F3EC10, 16 bytes long.
 Data: < &#246;&#242; &#164;           > 00 F6 F2 99 A4 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001A499F2F600, 40 bytes long.
 Data: < &#236;&#243; &#164;     &#244; &#164;   > 10 EC F3 99 A4 01 00 00 80 11 F4 99 A4 01 00 00 
{73} normal block at 0x000001A499F3F1B0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A499F3F160, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A499F3EF80, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A499F3E990, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A499F3EF30, 16 bytes long.
 Data: <P   &#247;           > 50 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A499F3EDA0, 16 bytes long.
 Data: <0   &#247;           > 30 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A499F3F610, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A499F3F750, 16 bytes long.
 Data: <    &#247;           > 10 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A499F3F390, 16 bytes long.
 Data: <p   &#247;           > 70 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A499F3EB20, 16 bytes long.
 Data: < &#192;&#255; &#247;           > 18 C0 FF 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra