Task 38662049

Name test_122-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND9572_1
Workunit 31605301
Created 24 Oct 2026, 16:59:11 UTC
Sent 24 Oct 2026, 17:07:41 UTC
Report deadline 29 Oct 2026, 17:07:41 UTC
Received 24 Oct 2026, 22:59:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 29 min 58 sec
CPU time 27 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.84 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:09:04 (18744): wrapper (7.9.26016): starting
12:09:04 (18744): 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
12:09:06 (18744): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:09:06 (18744): 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\13\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\13\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
12:37:53 (18744): C:/Windows/system32/cmd.exe exited; CPU time 1620.171875
12:37:53 (18744): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 31433603 bytes.
Dumping objects ->
{3835239} normal block at 0x0000020E49111790, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000020E49111E20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000020E49111BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000020E491119C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000020E49111B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000020E4ACCAE80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000020E490FEE10, 255 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) : {3835150} normal block at 0x0000020E4910C820, 8 bytes long.
 Data: <   I    > 00 00 0B 49 0E 02 00 00 
{3834551} normal block at 0x0000020E490FECD0, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000020E4910C410, 8 bytes long.
 Data: <@0&#222;J    > 40 30 DE 4A 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000020E490FF090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020E490FA1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000020E49112F10, 16 bytes long.
 Data: < 6 I            > 18 36 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E49112EC0, 16 bytes long.
 Data: <&#240;5 I            > F0 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020E4910D9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000020E49112DD0, 16 bytes long.
 Data: <&#200;5 I            > C8 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020E491123D0, 16 bytes long.
 Data: <&#160;5 I            > A0 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E49112D30, 16 bytes long.
 Data: <x5 I            > 78 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E49112510, 16 bytes long.
 Data: <P5 I            > 50 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020E49111870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000020E49112CE0, 16 bytes long.
 Data: <&#248;&#215; I            > F8 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E4910E220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000020E49112C90, 16 bytes long.
 Data: <&#208;&#215; I            > D0 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020E49112790, 16 bytes long.
 Data: <&#168;&#215; I            > A8 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E49112E20, 16 bytes long.
 Data: < &#215; I            > 80 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020E49113190, 16 bytes long.
 Data: <X&#215; I            > 58 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020E49112560, 16 bytes long.
 Data: <0&#215; I            > 30 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E49112920, 16 bytes long.
 Data: < &#215; I            > 08 D7 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E4910E040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000020E49112BA0, 16 bytes long.
 Data: <&#224;&#214; I            > E0 D6 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E490FD6E0, 320 bytes long.
 Data: <&#160;+ I    @&#224; I    > A0 2B 11 49 0E 02 00 00 40 E0 10 49 0E 02 00 00 
{269} normal block at 0x0000020E49112AB0, 16 bytes long.
 Data: <05 I            > 30 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020E491124C0, 16 bytes long.
 Data: < 5 I            > 08 35 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E4910E0A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000020E49112BF0, 16 bytes long.
 Data: <&#224;4 I            > E0 34 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020E4910DA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000020E49112C40, 16 bytes long.
 Data: <(4 I            > 28 34 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020E49112650, 16 bytes long.
 Data: < 4 I            > 00 34 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E491130A0, 16 bytes long.
 Data: <&#216;3 I            > D8 33 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020E49112740, 16 bytes long.
 Data: <&#176;3 I            > B0 33 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020E49112E70, 16 bytes long.
 Data: < 3 I            > 88 33 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E49113000, 16 bytes long.
 Data: <`3 I            > 60 33 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020E49112A60, 16 bytes long.
 Data: <   I            > 00 18 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020E49111800, 40 bytes long.
 Data: <`* I     &#174;&#204;J    > 60 2A 11 49 0E 02 00 00 80 AE CC 4A 0E 02 00 00 
{255} normal block at 0x0000020E49113280, 16 bytes long.
 Data: <@3 I            > 40 33 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020E491126F0, 16 bytes long.
 Data: < 3 I            > 18 33 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020E4910D980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000020E49112F60, 16 bytes long.
 Data: <&#240;2 I            > F0 32 11 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020E491132F0, 992 bytes long.
 Data: <`/ I     &#217; I    > 60 2F 11 49 0E 02 00 00 80 D9 10 49 0E 02 00 00 
{87} normal block at 0x0000020E4910D500, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000020E4910CEB0, 16 bytes long.
 Data: <&#160;&#174; I            > A0 AE 0F 49 0E 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000020E490FAEA0, 40 bytes long.
 Data: <&#176;&#206; I     &#213; I    > B0 CE 10 49 0E 02 00 00 00 D5 10 49 0E 02 00 00 
{64} normal block at 0x0000020E4910D090, 16 bytes long.
 Data: < &#234; &#138;&#247;           > 80 EA 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020E4910CFF0, 16 bytes long.
 Data: <@&#233; &#138;&#247;           > 40 E9 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020E4910C370, 16 bytes long.
 Data: <&#248;W~&#138;&#247;           > F8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020E4910D040, 16 bytes long.
 Data: <&#216;W~&#138;&#247;           > D8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020E4910D130, 16 bytes long.
 Data: <P ~&#138;&#247;           > 50 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020E4910CD20, 16 bytes long.
 Data: <0 ~&#138;&#247;           > 30 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020E4910C870, 16 bytes long.
 Data: <&#224; ~&#138;&#247;           > E0 02 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020E4910CDC0, 16 bytes long.
 Data: <  ~&#138;&#247;           > 10 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020E4910CCD0, 16 bytes long.
 Data: <p ~&#138;&#247;           > 70 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020E4910CE60, 16 bytes long.
 Data: < &#192;|&#138;&#247;           > 18 C0 7C 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra