Task 38683108

Name test_679-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7289_0
Workunit 31624688
Created 27 Oct 2026, 10:28:09 UTC
Sent 27 Oct 2026, 10:28:15 UTC
Report deadline 1 Nov 2026, 10:28:15 UTC
Received 27 Oct 2026, 10:48:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 18 min 3 sec
CPU time 17 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.34 MB
Peak swap size 12.97 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:31:05 (29200): wrapper (7.9.26016): starting
11:31:05 (29200): 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
11:31:06 (29200): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:31:06 (29200): 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\1\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\1\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
11:48:26 (29200): C:/Windows/system32/cmd.exe exited; CPU time 1034.843750
11:48:26 (29200): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 16972445 bytes.
Dumping objects ->
{3835247} normal block at 0x00000206781A77C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000206781A76E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000206781A7670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000206781A7600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000206781A7590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000020679FBB210, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x00000206781A0660, 8 bytes long.
 Data: <  &#210;y    > 00 00 D2 79 06 02 00 00 
{3833965} normal block at 0x000002067819FE90, 8 bytes long.
 Data: <`&#231;&#236;y    > 60 E7 EC 79 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000206781A3040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020678199170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000206781A8970, 16 bytes long.
 Data: <8&#143; x            > 38 8F 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000206781A87E0, 16 bytes long.
 Data: < &#143; x            > 10 8F 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000206781A2B10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000206781A7C50, 16 bytes long.
 Data: <&#232;&#142; x            > E8 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000206781A7F20, 16 bytes long.
 Data: <&#192;&#142; x            > C0 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206781A8920, 16 bytes long.
 Data: < &#142; x            > 98 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206781A8510, 16 bytes long.
 Data: <p&#142; x            > 70 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000206781A79F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000206781A8BA0, 16 bytes long.
 Data: <&#248;&#182; x            > F8 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206781A2990, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000206781A84C0, 16 bytes long.
 Data: <&#208;&#182; x            > D0 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206781A8B50, 16 bytes long.
 Data: <&#168;&#182; x            > A8 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206781A8A60, 16 bytes long.
 Data: < &#182; x            > 80 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000206781A8010, 16 bytes long.
 Data: <X&#182; x            > 58 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206781A8330, 16 bytes long.
 Data: <0&#182; x            > 30 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206781A7D40, 16 bytes long.
 Data: < &#182; x            > 08 B6 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206781A22D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000206781A8470, 16 bytes long.
 Data: <&#224;&#181; x            > E0 B5 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002067819B5E0, 320 bytes long.
 Data: <p&#132; x    &#208;" x    > 70 84 1A 78 06 02 00 00 D0 22 1A 78 06 02 00 00 
{278} normal block at 0x00000206781A82E0, 16 bytes long.
 Data: <P&#142; x            > 50 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206781A83D0, 16 bytes long.
 Data: <(&#142; x            > 28 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000206781A2030, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000206781A8790, 16 bytes long.
 Data: < &#142; x            > 00 8E 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206781A2A50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000206781A88D0, 16 bytes long.
 Data: <H&#141; x            > 48 8D 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206781A7E80, 16 bytes long.
 Data: < &#141; x            > 20 8D 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206781A81F0, 16 bytes long.
 Data: <&#248;&#140; x            > F8 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206781A8830, 16 bytes long.
 Data: <&#208;&#140; x            > D0 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206781A8B00, 16 bytes long.
 Data: <&#168;&#140; x            > A8 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206781A8A10, 16 bytes long.
 Data: < &#140; x            > 80 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206781A8290, 16 bytes long.
 Data: <`z x            > 60 7A 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206781A7A60, 40 bytes long.
 Data: < &#130; x      &#251;y    > 90 82 1A 78 06 02 00 00 10 B2 FB 79 06 02 00 00 
{264} normal block at 0x00000206781A8AB0, 16 bytes long.
 Data: <`&#140; x            > 60 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206781A7D90, 16 bytes long.
 Data: <8&#140; x            > 38 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206781A29F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000206781A81A0, 16 bytes long.
 Data: < &#140; x            > 10 8C 1A 78 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206781A8C10, 992 bytes long.
 Data: <&#160;  x    &#240;) x    > A0 81 1A 78 06 02 00 00 F0 29 1A 78 06 02 00 00 
{96} normal block at 0x00000206781A25D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002067819FDF0, 16 bytes long.
 Data: <&#192;  x            > C0 12 19 78 06 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000206781912C0, 40 bytes long.
 Data: <&#240;&#253; x    &#208;% x    > F0 FD 19 78 06 02 00 00 D0 25 1A 78 06 02 00 00 
{73} normal block at 0x00000206781A0160, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000206781A0480, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000206781A05C0, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000206781A0020, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002067819FFD0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002067819F8A0, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002067819FE40, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002067819FF80, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206781A0610, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002067819FCB0, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra