Task 38681093

Name test_808-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4946_0
Workunit 31622778
Created 27 Oct 2026, 2:35:47 UTC
Sent 27 Oct 2026, 2:35:49 UTC
Report deadline 1 Nov 2026, 2:35:49 UTC
Received 27 Oct 2026, 4:23:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 29 min
CPU time 27 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.76 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:54:26 (1996): wrapper (7.9.26016): starting
12:54:26 (1996): 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
12:54:27 (1996): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:27 (1996): 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
13:22:43 (1996): C:/Windows/system32/cmd.exe exited; CPU time 1628.546875
13:22:43 (1996): 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: 38790087 bytes.
Dumping objects ->
{3835380} normal block at 0x000002928E2C09D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000002928E2C0650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000002928E2C0B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000002928E2C1300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000002928E2C0880, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x0000029291D05990, 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) : {3835292} normal block at 0x000002928E2BD420, 8 bytes long.
 Data: <        > 00 00 8F 8E 92 02 00 00 
{3834077} normal block at 0x000002928E2BE0A0, 8 bytes long.
 Data: <p 8     > 70 EB 38 8E 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002928E2AE530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002928E2A7600, 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 0x000002928E2BDE70, 16 bytes long.
 Data: < &#210;+             > 88 D2 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002928E2BDB00, 16 bytes long.
 Data: <`&#210;+             > 60 D2 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002928E2B5810, 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 0x000002928E2BE050, 16 bytes long.
 Data: <8&#210;+             > 38 D2 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002928E2BD920, 16 bytes long.
 Data: < &#210;+             > 10 D2 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002928E2B8AC0, 16 bytes long.
 Data: < &#209;+             > E8 D1 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002928E2B8A20, 16 bytes long.
 Data: <&#192;&#209;+             > C0 D1 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002928E2B7BE0, 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 0x000002928E2B8CA0, 16 bytes long.
 Data: <&#200;&#201;+             > C8 C9 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002928E2B5690, 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 0x000002928E2B8E80, 16 bytes long.
 Data: < &#201;+             > A0 C9 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002928E2B9330, 16 bytes long.
 Data: <x&#201;+             > 78 C9 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002928E2B89D0, 16 bytes long.
 Data: <P&#201;+             > 50 C9 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002928E2B8930, 16 bytes long.
 Data: <(&#201;+             > 28 C9 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002928E2B91A0, 16 bytes long.
 Data: < &#201;+             > 00 C9 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002928E2B8DE0, 16 bytes long.
 Data: <&#216;&#200;+             > D8 C8 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002928E2B56F0, 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 0x000002928E2B86B0, 16 bytes long.
 Data: <&#176;&#200;+             > B0 C8 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002928E2BC8B0, 320 bytes long.
 Data: <&#176; +      V+     > B0 86 2B 8E 92 02 00 00 F0 56 2B 8E 92 02 00 00 
{281} normal block at 0x000002928E2B9150, 16 bytes long.
 Data: < &#209;+             > A0 D1 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002928E2B95B0, 16 bytes long.
 Data: <x&#209;+             > 78 D1 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002928E2B6230, 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 0x000002928E2B8FC0, 16 bytes long.
 Data: <P&#209;+             > 50 D1 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002928E2B6110, 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 0x000002928E2B8CF0, 16 bytes long.
 Data: < &#208;+             > 98 D0 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002928E2B8C50, 16 bytes long.
 Data: <p&#208;+             > 70 D0 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002928E2B8C00, 16 bytes long.
 Data: <H&#208;+             > 48 D0 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002928E2B8BB0, 16 bytes long.
 Data: < &#208;+             > 20 D0 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002928E2B8F20, 16 bytes long.
 Data: < &#207;+             > F8 CF 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002928E2B8ED0, 16 bytes long.
 Data: <&#208;&#207;+             > D0 CF 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002928E2B8B60, 16 bytes long.
 Data: < z+             > 90 7A 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002928E2B7A90, 40 bytes long.
 Data: <` +      Y&#208;     > 60 8B 2B 8E 92 02 00 00 90 59 D0 91 92 02 00 00 
{267} normal block at 0x000002928E2B8E30, 16 bytes long.
 Data: <&#176;&#207;+             > B0 CF 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002928E2B8B10, 16 bytes long.
 Data: < &#207;+             > 88 CF 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002928E2B60B0, 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 0x000002928E2B8A70, 16 bytes long.
 Data: <`&#207;+             > 60 CF 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002928E2BCF60, 992 bytes long.
 Data: <p +     &#176;`+     > 70 8A 2B 8E 92 02 00 00 B0 60 2B 8E 92 02 00 00 
{99} normal block at 0x000002928E2B5750, 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 0x000002928E2B9560, 16 bytes long.
 Data: < }+             > A0 7D 2B 8E 92 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002928E2B7DA0, 40 bytes long.
 Data: <` +     PW+     > 60 95 2B 8E 92 02 00 00 50 57 2B 8E 92 02 00 00 
{74} normal block at 0x000002928E2B9060, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002928E2B9510, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002928E2B90B0, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002928E2B93D0, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002928E2B9010, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002928E2B9470, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002928E2ABFB0, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002928E2ABCE0, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002928E2ABC90, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002928E2ABB50, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra