Task 38678181

Name test_736-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7362_0
Workunit 31620015
Created 26 Oct 2026, 16:37:16 UTC
Sent 26 Oct 2026, 16:37:19 UTC
Report deadline 31 Oct 2026, 16:37:19 UTC
Received 26 Oct 2026, 17:11:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 25 min 8 sec
CPU time 22 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.09 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:47:29 (3356): wrapper (7.9.26016): starting
17:47:29 (3356): 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
17:47:30 (3356): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:47:30 (3356): 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\14\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\14\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
18:11:26 (3356): C:/Windows/system32/cmd.exe exited; CPU time 1342.828125
18:11:26 (3356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 28477244 bytes.
Dumping objects ->
{3835282} normal block at 0x00000192AAF00ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x00000192AAF00CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x00000192AAF00920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x00000192AAF01410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000192AAF00BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x00000192AAFFBD90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000192AB00FDF0, 85 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) : {3835193} normal block at 0x00000192A933ED70, 8 bytes long.
 Data: <  y&#169;&#146;   > 00 00 79 A9 92 01 00 00 
{3834572} normal block at 0x00000192AB00F710, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x00000192A933EAA0, 8 bytes long.
 Data: <&#160;&#230;2&#169;&#146;   > A0 E6 32 A9 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000192A9340130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000192A9337D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000192A9347220, 16 bytes long.
 Data: <h&#132;4&#169;&#146;           > 68 84 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000192A9348080, 16 bytes long.
 Data: <@&#132;4&#169;&#146;           > 40 84 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000192A9342700, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000192A93471D0, 16 bytes long.
 Data: < &#132;4&#169;&#146;           > 18 84 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000192A9347E50, 16 bytes long.
 Data: <&#240;&#131;4&#169;&#146;           > F0 83 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000192A9348030, 16 bytes long.
 Data: <&#200;&#131;4&#169;&#146;           > C8 83 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000192A93472C0, 16 bytes long.
 Data: <&#160;&#131;4&#169;&#146;           > A0 83 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000192A933FEE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000192A9347400, 16 bytes long.
 Data: <&#184; 3&#169;&#146;           > B8 0D 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000192A9342400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000192A9347B30, 16 bytes long.
 Data: <  3&#169;&#146;           > 90 0D 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000192A9347AE0, 16 bytes long.
 Data: <h 3&#169;&#146;           > 68 0D 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000192A9347FE0, 16 bytes long.
 Data: <@ 3&#169;&#146;           > 40 0D 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000192A9347A90, 16 bytes long.
 Data: <  3&#169;&#146;           > 18 0D 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000192A93477C0, 16 bytes long.
 Data: <&#240; 3&#169;&#146;           > F0 0C 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000192A9347450, 16 bytes long.
 Data: <&#200; 3&#169;&#146;           > C8 0C 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000192A9342580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000192A9347680, 16 bytes long.
 Data: <&#160; 3&#169;&#146;           > A0 0C 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000192A9330CA0, 320 bytes long.
 Data: < v4&#169;&#146;    %4&#169;&#146;   > 80 76 34 A9 92 01 00 00 80 25 34 A9 92 01 00 00 
{281} normal block at 0x00000192A9347900, 16 bytes long.
 Data: < &#131;4&#169;&#146;           > 80 83 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000192A9347180, 16 bytes long.
 Data: <X&#131;4&#169;&#146;           > 58 83 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000192A9342BE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000192A9347DB0, 16 bytes long.
 Data: <0&#131;4&#169;&#146;           > 30 83 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000192A9342880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000192A9347E00, 16 bytes long.
 Data: <x&#130;4&#169;&#146;           > 78 82 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000192A93480D0, 16 bytes long.
 Data: <P&#130;4&#169;&#146;           > 50 82 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000192A9347270, 16 bytes long.
 Data: <(&#130;4&#169;&#146;           > 28 82 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000192A9347F90, 16 bytes long.
 Data: < &#130;4&#169;&#146;           > 00 82 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000192A9347F40, 16 bytes long.
 Data: <&#216; 4&#169;&#146;           > D8 81 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000192A93479F0, 16 bytes long.
 Data: <&#176; 4&#169;&#146;           > B0 81 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000192A9347EA0, 16 bytes long.
 Data: <&#192;&#248;3&#169;&#146;           > C0 F8 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000192A933F8C0, 40 bytes long.
 Data: <&#160;~4&#169;&#146;    &#189;&#255;&#170;&#146;   > A0 7E 34 A9 92 01 00 00 90 BD FF AA 92 01 00 00 
{267} normal block at 0x00000192A9347720, 16 bytes long.
 Data: <  4&#169;&#146;           > 90 81 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000192A9347D60, 16 bytes long.
 Data: <h 4&#169;&#146;           > 68 81 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000192A93425E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000192A9347A40, 16 bytes long.
 Data: <@ 4&#169;&#146;           > 40 81 34 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000192A9348140, 992 bytes long.
 Data: <@z4&#169;&#146;   &#224;%4&#169;&#146;   > 40 7A 34 A9 92 01 00 00 E0 25 34 A9 92 01 00 00 
{99} normal block at 0x00000192A93429A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000192A933F3B0, 16 bytes long.
 Data: < &#253;3&#169;&#146;           > 20 FD 33 A9 92 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000192A933FD20, 40 bytes long.
 Data: <&#176;&#243;3&#169;&#146;   &#160;)4&#169;&#146;   > B0 F3 33 A9 92 01 00 00 A0 29 34 A9 92 01 00 00 
{76} normal block at 0x00000192A933EB90, 16 bytes long.
 Data: < &#234;<&#206;&#247;           > 80 EA 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000192A933EE10, 16 bytes long.
 Data: <@&#233;<&#206;&#247;           > 40 E9 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000192A933EDC0, 16 bytes long.
 Data: <&#248;W9&#206;&#247;           > F8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000192A933E870, 16 bytes long.
 Data: <&#216;W9&#206;&#247;           > D8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000192A933F4F0, 16 bytes long.
 Data: <P 9&#206;&#247;           > 50 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000192A933E820, 16 bytes long.
 Data: <0 9&#206;&#247;           > 30 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000192A933F310, 16 bytes long.
 Data: <&#224; 9&#206;&#247;           > E0 02 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000192A933E7D0, 16 bytes long.
 Data: <  9&#206;&#247;           > 10 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000192A933EFF0, 16 bytes long.
 Data: <p 9&#206;&#247;           > 70 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000192A933F680, 16 bytes long.
 Data: < &#192;7&#206;&#247;           > 18 C0 37 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra