Task 38681487

Name test_212-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8416_0
Workunit 31623151
Created 27 Oct 2026, 4:11:17 UTC
Sent 27 Oct 2026, 4:11:27 UTC
Report deadline 1 Nov 2026, 4:11:27 UTC
Received 27 Oct 2026, 6:01:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 48 min 52 sec
CPU time 42 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.73 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:59:50 (9436): wrapper (7.9.26016): starting
06:59:50 (9436): 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
06:59:55 (9436): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:59:55 (9436): 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\24\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\24\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
07:46:39 (9436): C:/Windows/system32/cmd.exe exited; CPU time 2557.250000
07:46:39 (9436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 31878097 bytes.
Dumping objects ->
{3835241} normal block at 0x00000225026A9390, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x00000225026A95C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000225026A8750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x00000225026A8910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000022500A7AEA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x000002250264BFC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000022502764860, 180 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) : {3835151} normal block at 0x0000022500A76B90, 8 bytes long.
 Data: <  &#162; %   > 00 00 A2 00 25 02 00 00 
{3834544} normal block at 0x0000022502764680, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000022500A769B0, 8 bytes long.
 Data: <P&#234;Z %   > 50 EA 5A 02 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000022500A7FD20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022500A6B9F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000022500A80B80, 16 bytes long.
 Data: <&#216;3&#168; %           > D8 33 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022500A812B0, 16 bytes long.
 Data: <&#176;3&#168; %           > B0 33 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022500A7C290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000022500A811C0, 16 bytes long.
 Data: < 3&#168; %           > 88 33 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022500A81210, 16 bytes long.
 Data: <`3&#168; %           > 60 33 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022500A81300, 16 bytes long.
 Data: <83&#168; %           > 38 33 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022500A80B30, 16 bytes long.
 Data: < 3&#168; %           > 10 33 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022500A7AE30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000022500A81170, 16 bytes long.
 Data: <&#200;Z&#166; %           > C8 5A A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022500A7CB90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000022500A817B0, 16 bytes long.
 Data: <&#160;Z&#166; %           > A0 5A A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022500A81120, 16 bytes long.
 Data: <xZ&#166; %           > 78 5A A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022500A81580, 16 bytes long.
 Data: <PZ&#166; %           > 50 5A A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022500A80D10, 16 bytes long.
 Data: <(Z&#166; %           > 28 5A A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022500A81A80, 16 bytes long.
 Data: < Z&#166; %           > 00 5A A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022500A80EF0, 16 bytes long.
 Data: <&#216;Y&#166; %           > D8 59 A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022500A7CD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000022500A813A0, 16 bytes long.
 Data: <&#176;Y&#166; %           > B0 59 A6 00 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022500A659B0, 320 bytes long.
 Data: <&#160; &#168; %    &#205;&#167; %   > A0 13 A8 00 25 02 00 00 10 CD A7 00 25 02 00 00 
{266} normal block at 0x0000022500A81490, 16 bytes long.
 Data: <&#240;2&#168; %           > F0 32 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022500A81350, 16 bytes long.
 Data: <&#200;2&#168; %           > C8 32 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022500A7CB30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000022500A81A30, 16 bytes long.
 Data: <&#160;2&#168; %           > A0 32 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022500A7CFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000022500A80CC0, 16 bytes long.
 Data: <&#232;1&#168; %           > E8 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022500A80E00, 16 bytes long.
 Data: <&#192;1&#168; %           > C0 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022500A819E0, 16 bytes long.
 Data: < 1&#168; %           > 98 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022500A813F0, 16 bytes long.
 Data: <p1&#168; %           > 70 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022500A80D60, 16 bytes long.
 Data: <H1&#168; %           > 48 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022500A81990, 16 bytes long.
 Data: < 1&#168; %           > 20 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022500A810D0, 16 bytes long.
 Data: <&#208;&#176;&#167; %           > D0 B0 A7 00 25 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022500A7B0D0, 40 bytes long.
 Data: <&#208; &#168; %   &#192;&#191;d %   > D0 10 A8 00 25 02 00 00 C0 BF 64 02 25 02 00 00 
{252} normal block at 0x0000022500A81080, 16 bytes long.
 Data: < 1&#168; %           > 00 31 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022500A81800, 16 bytes long.
 Data: <&#216;0&#168; %           > D8 30 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022500A7C770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000022500A80C70, 16 bytes long.
 Data: <&#176;0&#168; %           > B0 30 A8 00 25 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000022500A830B0, 992 bytes long.
 Data: <p &#168; %   p&#199;&#167; %   > 70 0C A8 00 25 02 00 00 70 C7 A7 00 25 02 00 00 
{84} normal block at 0x0000022500A7CAD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000022500A76F50, 16 bytes long.
 Data: < &#179;&#167; %           > 00 B3 A7 00 25 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000022500A7B300, 40 bytes long.
 Data: <Po&#167; %   &#208;&#202;&#167; %   > 50 6F A7 00 25 02 00 00 D0 CA A7 00 25 02 00 00 
{61} normal block at 0x0000022500A76370, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022500A761E0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022500A76820, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022500A76550, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022500A76780, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022500A76640, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022500A76190, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000022500A76730, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000022500A76230, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000022500A76F00, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra