Task 38691963

Name test_879-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1305_0
Workunit 31632898
Created 29 Oct 2026, 18:05:59 UTC
Sent 29 Oct 2026, 18:06:00 UTC
Report deadline 3 Nov 2026, 18:06:00 UTC
Received 29 Oct 2026, 18:36:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 29 min 58 sec
CPU time 26 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.69 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:07:31 (3864): wrapper (7.9.26016): starting
19:07:31 (3864): 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
19:07:33 (3864): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:07:33 (3864): 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 'D:\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 'D:\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
19:36:08 (3864): C:/Windows/system32/cmd.exe exited; CPU time 1593.390625
19:36:08 (3864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 34914211 bytes.
Dumping objects ->
{3835502} normal block at 0x00000283666C8830, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835491} normal block at 0x0000028368525B90, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835480} normal block at 0x0000028368525E90, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835469} normal block at 0x0000028368525650, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835458} normal block at 0x00000283685254D0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835427} normal block at 0x00000283666C9390, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x000002836669D210, 8 bytes long.
 Data: <   h&#131;   > 00 00 20 68 83 02 00 00 
{3833969} normal block at 0x000002836669CC20, 8 bytes long.
 Data: <&#224;&#189;lf&#131;   > E0 BD 6C 66 83 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000283666A1320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000283666958C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000283666A5A00, 16 bytes long.
 Data: <&#232;bjf&#131;           > E8 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000283666A5C30, 16 bytes long.
 Data: <&#192;bjf&#131;           > C0 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002836669F0A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000283666A5C80, 16 bytes long.
 Data: < bjf&#131;           > 98 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000283666A5000, 16 bytes long.
 Data: <pbjf&#131;           > 70 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000283666A55F0, 16 bytes long.
 Data: <Hbjf&#131;           > 48 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000283666A5B40, 16 bytes long.
 Data: < bjf&#131;           > 20 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002836669F7D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000283666A5D70, 16 bytes long.
 Data: <(&#246;hf&#131;           > 28 F6 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002836669E440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000283666A5CD0, 16 bytes long.
 Data: < &#246;hf&#131;           > 00 F6 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000283666A59B0, 16 bytes long.
 Data: <&#216;&#245;hf&#131;           > D8 F5 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000283666A5730, 16 bytes long.
 Data: <&#176;&#245;hf&#131;           > B0 F5 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000283666A5960, 16 bytes long.
 Data: < &#245;hf&#131;           > 88 F5 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000283666A5910, 16 bytes long.
 Data: <`&#245;hf&#131;           > 60 F5 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000283666A5320, 16 bytes long.
 Data: <8&#245;hf&#131;           > 38 F5 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002836669EB60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000283666A52D0, 16 bytes long.
 Data: < &#245;hf&#131;           > 10 F5 68 66 83 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002836668F510, 320 bytes long.
 Data: <&#208;Rjf&#131;   `&#235;if&#131;   > D0 52 6A 66 83 02 00 00 60 EB 69 66 83 02 00 00 
{280} normal block at 0x00000283666A56E0, 16 bytes long.
 Data: < bjf&#131;           > 00 62 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000283666A5410, 16 bytes long.
 Data: <&#216;ajf&#131;           > D8 61 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002836669E5C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000283666A5AF0, 16 bytes long.
 Data: <&#176;ajf&#131;           > B0 61 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002836669EB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000283666A5870, 16 bytes long.
 Data: <&#248;`jf&#131;           > F8 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000283666A5DC0, 16 bytes long.
 Data: <&#208;`jf&#131;           > D0 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000283666A57D0, 16 bytes long.
 Data: <&#168;`jf&#131;           > A8 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000283666A5640, 16 bytes long.
 Data: < `jf&#131;           > 80 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000283666A5280, 16 bytes long.
 Data: <X`jf&#131;           > 58 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000283666A5690, 16 bytes long.
 Data: <0`jf&#131;           > 30 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000283666A50F0, 16 bytes long.
 Data: < &#249;if&#131;           > 90 F9 69 66 83 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002836669F990, 40 bytes long.
 Data: <&#240;Pjf&#131;    &#147;lf&#131;   > F0 50 6A 66 83 02 00 00 90 93 6C 66 83 02 00 00 
{266} normal block at 0x00000283666A5500, 16 bytes long.
 Data: < `jf&#131;           > 10 60 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000283666A5820, 16 bytes long.
 Data: <&#232;_jf&#131;           > E8 5F 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002836669F220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000283666A5780, 16 bytes long.
 Data: <&#192;_jf&#131;           > C0 5F 6A 66 83 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000283666A5FC0, 992 bytes long.
 Data: < Wjf&#131;    &#242;if&#131;   > 80 57 6A 66 83 02 00 00 20 F2 69 66 83 02 00 00 
{98} normal block at 0x000002836669F1C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002836669D1C0, 16 bytes long.
 Data: <0&#245;if&#131;           > 30 F5 69 66 83 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002836669F530, 40 bytes long.
 Data: <&#192;&#209;if&#131;   &#192;&#241;if&#131;   > C0 D1 69 66 83 02 00 00 C0 F1 69 66 83 02 00 00 
{75} normal block at 0x000002836669D0D0, 16 bytes long.
 Data: < &#234; 3&#246;           > 80 EA 07 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002836669CB30, 16 bytes long.
 Data: <@&#233; 3&#246;           > 40 E9 07 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002836669CA40, 16 bytes long.
 Data: <&#248;W 3&#246;           > F8 57 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002836669D710, 16 bytes long.
 Data: <&#216;W 3&#246;           > D8 57 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002836669D800, 16 bytes long.
 Data: <P  3&#246;           > 50 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002836669D080, 16 bytes long.
 Data: <0  3&#246;           > 30 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002836669CC70, 16 bytes long.
 Data: <&#224;  3&#246;           > E0 02 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002836669CB80, 16 bytes long.
 Data: <   3&#246;           > 10 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002836669CA90, 16 bytes long.
 Data: <p  3&#246;           > 70 04 04 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002836669D990, 16 bytes long.
 Data: < &#192; 3&#246;           > 18 C0 02 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra