Task 38682688

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2745_0
Workunit 31624285
Created 27 Oct 2026, 8:40:05 UTC
Sent 27 Oct 2026, 8:40:09 UTC
Report deadline 1 Nov 2026, 8:40:09 UTC
Received 27 Oct 2026, 10:32:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652159
Run time 43 min 39 sec
CPU time 40 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.89 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:49:49 (1196): wrapper (7.9.26016): starting
12:49:49 (1196): 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
12:49:52 (1196): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:49:52 (1196): 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\4\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\4\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
13:31:21 (1196): C:/Windows/system32/cmd.exe exited; CPU time 2452.656250
13:31:21 (1196): 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: 42961721 bytes.
Dumping objects ->
{3835636} normal block at 0x0000027903E13E20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835625} normal block at 0x0000027902125180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835614} normal block at 0x0000027902125340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835603} normal block at 0x00000279021250A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835592} normal block at 0x0000027902125730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835561} normal block at 0x0000027903DB9020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000027903DCEEB0, 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) : {3835547} normal block at 0x000002790211E0E0, 8 bytes long.
 Data: <  R y   > 00 00 52 02 79 02 00 00 
{3834732} normal block at 0x0000027903DCE720, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002790211DDC0, 8 bytes long.
 Data: < &#230;  y   > 10 E6 1F 02 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027902121EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027902116E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000279021263C0, 16 bytes long.
 Data: <(o  y           > 28 6F 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027902126050, 16 bytes long.
 Data: < o  y           > 00 6F 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002790211F720, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000279021262D0, 16 bytes long.
 Data: <&#216;n  y           > D8 6E 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027902126460, 16 bytes long.
 Data: <&#176;n  y           > B0 6E 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027902126230, 16 bytes long.
 Data: < n  y           > 88 6E 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027902126550, 16 bytes long.
 Data: <`n  y           > 60 6E 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000279021255E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000279021261E0, 16 bytes long.
 Data: <&#232;&#148;  y           > E8 94 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002790211F6C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000027902126730, 16 bytes long.
 Data: <&#192;&#148;  y           > C0 94 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027902125F60, 16 bytes long.
 Data: < &#148;  y           > 98 94 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027902126280, 16 bytes long.
 Data: <p&#148;  y           > 70 94 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027902126000, 16 bytes long.
 Data: <H&#148;  y           > 48 94 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027902125E70, 16 bytes long.
 Data: < &#148;  y           > 20 94 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027902126190, 16 bytes long.
 Data: <&#248;&#147;  y           > F8 93 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000279021202C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000027902126910, 16 bytes long.
 Data: <&#208;&#147;  y           > D0 93 11 02 79 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000279021193D0, 320 bytes long.
 Data: < i  y   &#192;   y   > 10 69 12 02 79 02 00 00 C0 02 12 02 79 02 00 00 
{275} normal block at 0x0000027902125D80, 16 bytes long.
 Data: <@n  y           > 40 6E 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000279021268C0, 16 bytes long.
 Data: < n  y           > 18 6E 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002790211FBA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000027902126AA0, 16 bytes long.
 Data: <&#240;m  y           > F0 6D 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002790211F7E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000027902126820, 16 bytes long.
 Data: <8m  y           > 38 6D 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027902125E20, 16 bytes long.
 Data: < m  y           > 10 6D 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027902125D30, 16 bytes long.
 Data: <&#232;l  y           > E8 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000279021267D0, 16 bytes long.
 Data: <&#192;l  y           > C0 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027902125C40, 16 bytes long.
 Data: < l  y           > 98 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027902126410, 16 bytes long.
 Data: <pl  y           > 70 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000279021260A0, 16 bytes long.
 Data: <pU  y           > 70 55 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027902125570, 40 bytes long.
 Data: <&#160;`  y     &#219; y   > A0 60 12 02 79 02 00 00 20 90 DB 03 79 02 00 00 
{261} normal block at 0x0000027902125CE0, 16 bytes long.
 Data: <Pl  y           > 50 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000279021265F0, 16 bytes long.
 Data: <(l  y           > 28 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027902120080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000027902126500, 16 bytes long.
 Data: < l  y           > 00 6C 12 02 79 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027902126C00, 992 bytes long.
 Data: < e  y       y   > 00 65 12 02 79 02 00 00 80 00 12 02 79 02 00 00 
{93} normal block at 0x000002790211FCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002790211D6E0, 16 bytes long.
 Data: <&#224;&#223;  y           > E0 DF 10 02 79 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002790210DFE0, 40 bytes long.
 Data: <&#224;&#214;  y   &#192;&#252;  y   > E0 D6 11 02 79 02 00 00 C0 FC 11 02 79 02 00 00 
{70} normal block at 0x000002790211DFF0, 16 bytes long.
 Data: < &#234;/c&#246;           > 80 EA 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002790211D690, 16 bytes long.
 Data: <@&#233;/c&#246;           > 40 E9 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002790211DE60, 16 bytes long.
 Data: <&#248;W,c&#246;           > F8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002790211DD70, 16 bytes long.
 Data: <&#216;W,c&#246;           > D8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002790211DEB0, 16 bytes long.
 Data: <P ,c&#246;           > 50 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002790211E090, 16 bytes long.
 Data: <0 ,c&#246;           > 30 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002790211E360, 16 bytes long.
 Data: <&#224; ,c&#246;           > E0 02 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002790211DC80, 16 bytes long.
 Data: <  ,c&#246;           > 10 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002790211DB40, 16 bytes long.
 Data: <p ,c&#246;           > 70 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002790211D9B0, 16 bytes long.
 Data: < &#192;*c&#246;           > 18 C0 2A 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra