Task 38678868

Name test_894-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8733_0
Workunit 31620672
Created 26 Oct 2026, 18:44:43 UTC
Sent 26 Oct 2026, 18:44:47 UTC
Report deadline 31 Oct 2026, 18:44:47 UTC
Received 26 Oct 2026, 20:10:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 27 min 12 sec
CPU time 27 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.81 MB
Peak swap size 13.14 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:39:30 (22524): wrapper (7.9.26016): starting
14:39:30 (22524): 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
14:39:31 (22524): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:39:31 (22524): 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 'M:\BOINC\slots\27\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 'M:\BOINC\slots\27\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
15:07:26 (22524): C:/Windows/system32/cmd.exe exited; CPU time 1632.484375
15:07:26 (22524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 31271425 bytes.
Dumping objects ->
{3835626} normal block at 0x0000025D96CE4D60, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x0000025D98B70B60, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x0000025D98B6FD80, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x0000025D98B6FD20, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x0000025D98B6FB40, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x0000025D96CE4DD0, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x0000025D96CDA9B0, 200 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) : {3835537} normal block at 0x0000025D96CDE120, 8 bytes long.
 Data: <  4&#151;]   > 00 00 34 97 5D 02 00 00 
{3834737} normal block at 0x0000025D96CDB450, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000025D96CDDC20, 8 bytes long.
 Data: <&#176;&#227;&#163; ]   > B0 E3 A3 98 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025D96CE14F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025D96CD6350, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000025D96CE5B40, 16 bytes long.
 Data: <&#216;h&#206;&#150;]           > D8 68 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025D96CE5910, 16 bytes long.
 Data: <&#176;h&#206;&#150;]           > B0 68 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025D96CDF420, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000025D96CE60E0, 16 bytes long.
 Data: < h&#206;&#150;]           > 88 68 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025D96CE58C0, 16 bytes long.
 Data: <`h&#206;&#150;]           > 60 68 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025D96CE5870, 16 bytes long.
 Data: <8h&#206;&#150;]           > 38 68 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025D96CE5820, 16 bytes long.
 Data: < h&#206;&#150;]           > 10 68 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025D96CE5070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000025D96CE5FF0, 16 bytes long.
 Data: <(&#245;&#204;&#150;]           > 28 F5 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025D96CDEC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000025D96CE5B90, 16 bytes long.
 Data: < &#245;&#204;&#150;]           > 00 F5 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025D96CE6090, 16 bytes long.
 Data: <&#216;&#244;&#204;&#150;]           > D8 F4 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025D96CE57D0, 16 bytes long.
 Data: <&#176;&#244;&#204;&#150;]           > B0 F4 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025D96CE5730, 16 bytes long.
 Data: < &#244;&#204;&#150;]           > 88 F4 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025D96CE5690, 16 bytes long.
 Data: <`&#244;&#204;&#150;]           > 60 F4 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025D96CE56E0, 16 bytes long.
 Data: <8&#244;&#204;&#150;]           > 38 F4 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D96CDF780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000025D96CE5F50, 16 bytes long.
 Data: < &#244;&#204;&#150;]           > 10 F4 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025D96CCF410, 320 bytes long.
 Data: <P_&#206;&#150;]    &#247;&#205;&#150;]   > 50 5F CE 96 5D 02 00 00 80 F7 CD 96 5D 02 00 00 
{277} normal block at 0x0000025D96CE5E10, 16 bytes long.
 Data: <&#240;g&#206;&#150;]           > F0 67 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025D96CE5EB0, 16 bytes long.
 Data: <&#200;g&#206;&#150;]           > C8 67 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D96CDF360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000025D96CE62C0, 16 bytes long.
 Data: <&#160;g&#206;&#150;]           > A0 67 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025D96CDF600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000025D96CE55F0, 16 bytes long.
 Data: <&#232;f&#206;&#150;]           > E8 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025D96CE5C80, 16 bytes long.
 Data: <&#192;f&#206;&#150;]           > C0 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025D96CE64F0, 16 bytes long.
 Data: < f&#206;&#150;]           > 98 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D96CE5960, 16 bytes long.
 Data: <pf&#206;&#150;]           > 70 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025D96CE6270, 16 bytes long.
 Data: <Hf&#206;&#150;]           > 48 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025D96CE6450, 16 bytes long.
 Data: < f&#206;&#150;]           > 20 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025D96CE6540, 16 bytes long.
 Data: < P&#206;&#150;]           > 00 50 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025D96CE5000, 40 bytes long.
 Data: <@e&#206;&#150;]   &#208;M&#206;&#150;]   > 40 65 CE 96 5D 02 00 00 D0 4D CE 96 5D 02 00 00 
{263} normal block at 0x0000025D96CE6400, 16 bytes long.
 Data: < f&#206;&#150;]           > 00 66 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025D96CE5F00, 16 bytes long.
 Data: <&#216;e&#206;&#150;]           > D8 65 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025D96CDF180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000025D96CE63B0, 16 bytes long.
 Data: <&#176;e&#206;&#150;]           > B0 65 CE 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025D96CE65B0, 992 bytes long.
 Data: <&#176;c&#206;&#150;]    &#241;&#205;&#150;]   > B0 63 CE 96 5D 02 00 00 80 F1 CD 96 5D 02 00 00 
{95} normal block at 0x0000025D96CDF540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000025D96CDD630, 16 bytes long.
 Data: <`&#230;&#204;&#150;]           > 60 E6 CC 96 5D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000025D96CCE660, 40 bytes long.
 Data: <0&#214;&#205;&#150;]   @&#245;&#205;&#150;]   > 30 D6 CD 96 5D 02 00 00 40 F5 CD 96 5D 02 00 00 
{72} normal block at 0x0000025D96CDE0D0, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025D96CDDFE0, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025D96CDE080, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025D96CDD3B0, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025D96CDDEA0, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025D96CDDBD0, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025D96CDDAE0, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025D96CDDB30, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025D96CDDA90, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025D96CDDF90, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra