Task 38689039

Name test_747-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7757_0
Workunit 31630320
Created 28 Oct 2026, 17:52:03 UTC
Sent 28 Oct 2026, 17:52:05 UTC
Report deadline 2 Nov 2026, 17:52:05 UTC
Received 28 Oct 2026, 18:47:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 51 min 4 sec
CPU time 49 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 864.11 MB
Peak swap size 6.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:53:39 (12772): wrapper (7.9.26016): starting
18:53:39 (12772): 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
18:53:41 (12772): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:41 (12772): 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:\ProgramData\BOINC\slots\8\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:\ProgramData\BOINC\slots\8\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
19:43:34 (12772): C:/Windows/system32/cmd.exe exited; CPU time 2953.187500
19:43:34 (12772): 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: 44489845 bytes.
Dumping objects ->
{3835551} normal block at 0x0000023B9561E890, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000023B938661C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x0000023B93866150, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x0000023B938660E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x0000023B93865EB0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x0000023B9566B290, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x0000023B9567FCC0, 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) : {3835462} normal block at 0x0000023B93860010, 8 bytes long.
 Data: <  &#235;&#147;;   > 00 00 EB 93 3B 02 00 00 
{3834687} normal block at 0x0000023B956800E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000023B93860420, 8 bytes long.
 Data: < Lo&#149;;   > 80 4C 6F 95 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000023B93861EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023B93856B60, 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 0x0000023B93866750, 16 bytes long.
 Data: <hw&#134;&#147;;           > 68 77 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023B938665C0, 16 bytes long.
 Data: <@w&#134;&#147;;           > 40 77 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023B93860BF0, 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 0x0000023B93866570, 16 bytes long.
 Data: < w&#134;&#147;;           > 18 77 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B938673D0, 16 bytes long.
 Data: <&#240;v&#134;&#147;;           > F0 76 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023B93866520, 16 bytes long.
 Data: <&#200;v&#134;&#147;;           > C8 76 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023B93867380, 16 bytes long.
 Data: <&#160;v&#134;&#147;;           > A0 76 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B93865BA0, 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 0x0000023B93867330, 16 bytes long.
 Data: < &#244;&#133;&#147;;           > 88 F4 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B93861250, 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 0x0000023B93866BB0, 16 bytes long.
 Data: <`&#244;&#133;&#147;;           > 60 F4 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B93866890, 16 bytes long.
 Data: <8&#244;&#133;&#147;;           > 38 F4 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023B93866E80, 16 bytes long.
 Data: < &#244;&#133;&#147;;           > 10 F4 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B938672E0, 16 bytes long.
 Data: <&#232;&#243;&#133;&#147;;           > E8 F3 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B93866C50, 16 bytes long.
 Data: <&#192;&#243;&#133;&#147;;           > C0 F3 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B93866F70, 16 bytes long.
 Data: < &#243;&#133;&#147;;           > 98 F3 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B938615B0, 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 0x0000023B93866840, 16 bytes long.
 Data: <p&#243;&#133;&#147;;           > 70 F3 85 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B9385F370, 320 bytes long.
 Data: <@h&#134;&#147;;   &#176; &#134;&#147;;   > 40 68 86 93 3B 02 00 00 B0 15 86 93 3B 02 00 00 
{278} normal block at 0x0000023B93867290, 16 bytes long.
 Data: < v&#134;&#147;;           > 80 76 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023B938667A0, 16 bytes long.
 Data: <Xv&#134;&#147;;           > 58 76 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B93861310, 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 0x0000023B93867060, 16 bytes long.
 Data: <0v&#134;&#147;;           > 30 76 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B93860E90, 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 0x0000023B938669D0, 16 bytes long.
 Data: <xu&#134;&#147;;           > 78 75 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B93866B10, 16 bytes long.
 Data: <Pu&#134;&#147;;           > 50 75 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B93866E30, 16 bytes long.
 Data: <(u&#134;&#147;;           > 28 75 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B93866CF0, 16 bytes long.
 Data: < u&#134;&#147;;           > 00 75 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023B938671F0, 16 bytes long.
 Data: <&#216;t&#134;&#147;;           > D8 74 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B938667F0, 16 bytes long.
 Data: <&#176;t&#134;&#147;;           > B0 74 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023B93866A70, 16 bytes long.
 Data: < _&#134;&#147;;           > 20 5F 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B93865F20, 40 bytes long.
 Data: <pj&#134;&#147;;    &#178;f&#149;;   > 70 6A 86 93 3B 02 00 00 90 B2 66 95 3B 02 00 00 
{264} normal block at 0x0000023B93866610, 16 bytes long.
 Data: < t&#134;&#147;;           > 90 74 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023B93866C00, 16 bytes long.
 Data: <ht&#134;&#147;;           > 68 74 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B938610D0, 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 0x0000023B938664D0, 16 bytes long.
 Data: <@t&#134;&#147;;           > 40 74 86 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023B93867440, 992 bytes long.
 Data: <&#208;d&#134;&#147;;   &#208; &#134;&#147;;   > D0 64 86 93 3B 02 00 00 D0 10 86 93 3B 02 00 00 
{96} normal block at 0x0000023B93860710, 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 0x0000023B9385FC50, 16 bytes long.
 Data: <&#192;&#229;&#132;&#147;;           > C0 E5 84 93 3B 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000023B9384E5C0, 40 bytes long.
 Data: <P&#252;&#133;&#147;;     &#134;&#147;;   > 50 FC 85 93 3B 02 00 00 10 07 86 93 3B 02 00 00 
{73} normal block at 0x0000023B938603D0, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023B93860470, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023B9385FFC0, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023B9385FBB0, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B9385FF70, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B938602E0, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B9385F700, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B9385FAC0, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023B9385FB60, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023B93860100, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra