Task 38696585

Name test_540-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5545_0
Workunit 31637208
Created 1 Nov 2026, 2:02:49 UTC
Sent 1 Nov 2026, 2:02:57 UTC
Report deadline 6 Nov 2026, 2:02:57 UTC
Received 1 Nov 2026, 2:24:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654982
Run time 20 min 37 sec
CPU time 20 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.81 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:04:08 (23544): wrapper (7.9.26016): starting
03:04:08 (23544): 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
03:04:09 (23544): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:04:09 (23544): 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\3\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\3\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
03:24:03 (23544): C:/Windows/system32/cmd.exe exited; CPU time 1202.546875
03:24:03 (23544): 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: 23701807 bytes.
Dumping objects ->
{3835615} normal block at 0x000001552613F0E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835604} normal block at 0x000001552613F150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835593} normal block at 0x0000015524404B40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835582} normal block at 0x00000155244048A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835571} normal block at 0x0000015524404AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835540} normal block at 0x0000015526187BE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x00000155261A07F0, 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) : {3835526} normal block at 0x00000155243FF7C0, 8 bytes long.
 Data: <  &#130;$U   > 00 00 82 24 55 01 00 00 
{3834722} normal block at 0x00000155261A0D70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000155243FEF50, 8 bytes long.
 Data: <&#240;&#182;B$U   > F0 B6 42 24 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000015524400E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000155243F5D60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000015524405A60, 16 bytes long.
 Data: <&#216;d@$U           > D8 64 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015524406140, 16 bytes long.
 Data: <&#176;d@$U           > B0 64 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000155243FD280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000155244051F0, 16 bytes long.
 Data: < d@$U           > 88 64 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015524405B00, 16 bytes long.
 Data: <`d@$U           > 60 64 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015524405D80, 16 bytes long.
 Data: <8d@$U           > 38 64 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000155244060F0, 16 bytes long.
 Data: < d@$U           > 10 64 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015524404910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000015524405BF0, 16 bytes long.
 Data: <(&#142;?$U           > 28 8E 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000155243FD820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000015524406000, 16 bytes long.
 Data: < &#142;?$U           > 00 8E 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015524406050, 16 bytes long.
 Data: <&#216; ?$U           > D8 8D 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015524405880, 16 bytes long.
 Data: <&#176; ?$U           > B0 8D 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015524405560, 16 bytes long.
 Data: <  ?$U           > 88 8D 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000155244060A0, 16 bytes long.
 Data: <` ?$U           > 60 8D 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015524405D30, 16 bytes long.
 Data: <8 ?$U           > 38 8D 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000155243FD2E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000015524405CE0, 16 bytes long.
 Data: <  ?$U           > 10 8D 3F 24 55 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000155243F8D10, 320 bytes long.
 Data: <&#224;\@$U   &#224;&#210;?$U   > E0 5C 40 24 55 01 00 00 E0 D2 3F 24 55 01 00 00 
{279} normal block at 0x0000015524405330, 16 bytes long.
 Data: <&#240;c@$U           > F0 63 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000155244058D0, 16 bytes long.
 Data: <&#200;c@$U           > C8 63 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000155243FDB80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000015524405290, 16 bytes long.
 Data: <&#160;c@$U           > A0 63 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000155243FD760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000015524405650, 16 bytes long.
 Data: <&#232;b@$U           > E8 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000155244053D0, 16 bytes long.
 Data: <&#192;b@$U           > C0 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015524405BA0, 16 bytes long.
 Data: < b@$U           > 98 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015524405830, 16 bytes long.
 Data: <pb@$U           > 70 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000155244056A0, 16 bytes long.
 Data: <Hb@$U           > 48 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015524405A10, 16 bytes long.
 Data: < b@$U           > 20 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015524405EC0, 16 bytes long.
 Data: < M@$U           > 00 4D 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015524404D00, 40 bytes long.
 Data: <&#192;^@$U   &#224;{ &U   > C0 5E 40 24 55 01 00 00 E0 7B 18 26 55 01 00 00 
{265} normal block at 0x0000015524405380, 16 bytes long.
 Data: < b@$U           > 00 62 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015524405B50, 16 bytes long.
 Data: <&#216;a@$U           > D8 61 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000155243FCFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000015524405C90, 16 bytes long.
 Data: <&#176;a@$U           > B0 61 40 24 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000155244061B0, 992 bytes long.
 Data: < \@$U   &#224;&#207;?$U   > 90 5C 40 24 55 01 00 00 E0 CF 3F 24 55 01 00 00 
{97} normal block at 0x00000155243FD5E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000155243FF090, 16 bytes long.
 Data: < &#231;>$U           > 00 E7 3E 24 55 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000155243EE700, 40 bytes long.
 Data: < &#240;?$U   &#224;&#213;?$U   > 90 F0 3F 24 55 01 00 00 E0 D5 3F 24 55 01 00 00 
{74} normal block at 0x00000155243FF360, 16 bytes long.
 Data: < &#234; &#233;&#247;           > 80 EA 20 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000155243FF540, 16 bytes long.
 Data: <@&#233; &#233;&#247;           > 40 E9 20 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000155243FF3B0, 16 bytes long.
 Data: <&#248;W &#233;&#247;           > F8 57 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000155243FF770, 16 bytes long.
 Data: <&#216;W &#233;&#247;           > D8 57 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000155243FEFA0, 16 bytes long.
 Data: <P  &#233;&#247;           > 50 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000155243FEEB0, 16 bytes long.
 Data: <0  &#233;&#247;           > 30 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000155243FED20, 16 bytes long.
 Data: <&#224;  &#233;&#247;           > E0 02 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000155243FF590, 16 bytes long.
 Data: <   &#233;&#247;           > 10 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000155243FF720, 16 bytes long.
 Data: <p  &#233;&#247;           > 70 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000155243FEDC0, 16 bytes long.
 Data: < &#192; &#233;&#247;           > 18 C0 1B E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra