Task 38676602

Name test_896-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4007_0
Workunit 31618505
Created 26 Oct 2026, 11:48:13 UTC
Sent 26 Oct 2026, 11:48:16 UTC
Report deadline 31 Oct 2026, 11:48:16 UTC
Received 26 Oct 2026, 13:31:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602451
Run time 1 hours 40 min 13 sec
CPU time 1 hours 36 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,200.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.46 MB
Peak swap size 5.19 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:49:18 (21388): wrapper (7.9.26016): starting
12:49:18 (21388): 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
12:49:19 (21388): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:49:19 (21388): 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
14:31:00 (21388): C:/Windows/system32/cmd.exe exited; CPU time 5783.296875
14:31:00 (21388): 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: 98750657 bytes.
Dumping objects ->
{3835513} normal block at 0x00000217F3114480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000217F3114B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x00000217F3114410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835480} normal block at 0x00000217F3114790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x00000217F31146B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835438} normal block at 0x00000217F4E270F0, 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) : {3835425} normal block at 0x00000217F310F830, 8 bytes long.
 Data: <  S&#243;    > 00 00 53 F3 17 02 00 00 
{3833967} normal block at 0x00000217F310F420, 8 bytes long.
 Data: <&#176;8&#232;&#244;    > B0 38 E8 F4 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000217F30FFAC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000217F30FF380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000217F31158F0, 16 bytes long.
 Data: < _ &#243;            > 08 5F 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000217F3115620, 16 bytes long.
 Data: <&#224;^ &#243;            > E0 5E 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000217F3110670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000217F3115940, 16 bytes long.
 Data: <&#184;^ &#243;            > B8 5E 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000217F31155D0, 16 bytes long.
 Data: < ^ &#243;            > 90 5E 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000217F3115A80, 16 bytes long.
 Data: <h^ &#243;            > 68 5E 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000217F31153F0, 16 bytes long.
 Data: <@^ &#243;            > 40 5E 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217F31145D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000217F31156C0, 16 bytes long.
 Data: <H  &#243;            > 48 98 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000217F3110BB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000217F3115120, 16 bytes long.
 Data: <   &#243;            > 20 98 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000217F31158A0, 16 bytes long.
 Data: <&#248;&#151; &#243;            > F8 97 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000217F31153A0, 16 bytes long.
 Data: <&#208;&#151; &#243;            > D0 97 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217F3115580, 16 bytes long.
 Data: <&#168;&#151; &#243;            > A8 97 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217F3115850, 16 bytes long.
 Data: < &#151; &#243;            > 80 97 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000217F3115170, 16 bytes long.
 Data: <X&#151; &#243;            > 58 97 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217F3110D30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000217F3115670, 16 bytes long.
 Data: <0&#151; &#243;            > 30 97 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000217F3109730, 320 bytes long.
 Data: <pV &#243;    0  &#243;    > 70 56 11 F3 17 02 00 00 30 0D 11 F3 17 02 00 00 
{279} normal block at 0x00000217F3115530, 16 bytes long.
 Data: < ^ &#243;            > 20 5E 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000217F3115300, 16 bytes long.
 Data: <&#248;] &#243;            > F8 5D 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217F31105B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000217F3114EA0, 16 bytes long.
 Data: <&#208;] &#243;            > D0 5D 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217F3110CD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000217F3114E00, 16 bytes long.
 Data: < ] &#243;            > 18 5D 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000217F3115350, 16 bytes long.
 Data: <&#240;\ &#243;            > F0 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217F3114DB0, 16 bytes long.
 Data: <&#200;\ &#243;            > C8 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000217F3115A30, 16 bytes long.
 Data: <&#160;\ &#243;            > A0 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000217F3114F90, 16 bytes long.
 Data: <x\ &#243;            > 78 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000217F3114EF0, 16 bytes long.
 Data: <P\ &#243;            > 50 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000217F3115760, 16 bytes long.
 Data: <0J &#243;            > 30 4A 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000217F3114A30, 40 bytes long.
 Data: <`W &#243;    &#240;p&#226;&#244;    > 60 57 11 F3 17 02 00 00 F0 70 E2 F4 17 02 00 00 
{265} normal block at 0x00000217F3114C20, 16 bytes long.
 Data: <0\ &#243;            > 30 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000217F3115210, 16 bytes long.
 Data: < \ &#243;            > 08 5C 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000217F3110C70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000217F31154E0, 16 bytes long.
 Data: <&#224;[ &#243;            > E0 5B 11 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000217F3115BE0, 992 bytes long.
 Data: <&#224;T &#243;    p  &#243;    > E0 54 11 F3 17 02 00 00 70 0C 11 F3 17 02 00 00 
{97} normal block at 0x00000217F31109D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000217F310F3D0, 16 bytes long.
 Data: <`  &#243;            > 60 0D 10 F3 17 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000217F3100D60, 40 bytes long.
 Data: <&#208;&#243; &#243;    &#208;	 &#243;    > D0 F3 10 F3 17 02 00 00 D0 09 11 F3 17 02 00 00 
{74} normal block at 0x00000217F310FA60, 16 bytes long.
 Data: < &#234; J&#247;           > 80 EA 1A 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000217F310FA10, 16 bytes long.
 Data: <@&#233; J&#247;           > 40 E9 1A 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000217F310FBA0, 16 bytes long.
 Data: <&#248;W J&#247;           > F8 57 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000217F310F0B0, 16 bytes long.
 Data: <&#216;W J&#247;           > D8 57 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000217F310F600, 16 bytes long.
 Data: <P  J&#247;           > 50 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000217F310FCE0, 16 bytes long.
 Data: <0  J&#247;           > 30 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000217F310FF60, 16 bytes long.
 Data: <&#224;  J&#247;           > E0 02 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000217F310F060, 16 bytes long.
 Data: <   J&#247;           > 10 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000217F310F240, 16 bytes long.
 Data: <p  J&#247;           > 70 04 17 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000217F310FC90, 16 bytes long.
 Data: < &#192; J&#247;           > 18 C0 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra