Task 38679763

Name test_812-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2375_0
Workunit 31621526
Created 26 Oct 2026, 21:40:46 UTC
Sent 26 Oct 2026, 21:40:50 UTC
Report deadline 31 Oct 2026, 21:40:50 UTC
Received 27 Oct 2026, 0:56:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 1 hours 0 min 41 sec
CPU time 51 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.50 MB
Peak swap size 2.24 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:52:49 (16796): wrapper (7.9.26016): starting
02:52:49 (16796): 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
02:52:56 (16796): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:52:56 (16796): 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:\BOINC\slots\0\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:\BOINC\slots\0\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
03:50:19 (16796): C:/Windows/system32/cmd.exe exited; CPU time 3081.265625
03:50:19 (16796): 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: 43154093 bytes.
Dumping objects ->
{3835529} normal block at 0x000001AA79E31210, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000001AA7BA25A10, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000001AA7BA25890, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000001AA7BA25950, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000001AA7BA25DD0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000001AA79E31600, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000001AA79E28CD0, 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) : {3835440} normal block at 0x000001AA79E26D80, 8 bytes long.
 Data: <  r{&#170;   > 00 00 72 7B AA 01 00 00 
{3834685} normal block at 0x000001AA79E2A540, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001AA79E26970, 8 bytes long.
 Data: <PP&#167;{&#170;   > 50 50 A7 7B AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001AA79E31E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AA79E15F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001AA79E33920, 16 bytes long.
 Data: < ?&#227;y&#170;           > 88 3F E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AA79E33100, 16 bytes long.
 Data: <`?&#227;y&#170;           > 60 3F E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AA79E2C4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001AA79E33A60, 16 bytes long.
 Data: <8?&#227;y&#170;           > 38 3F E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AA79E32E80, 16 bytes long.
 Data: < ?&#227;y&#170;           > 10 3F E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AA79E32FC0, 16 bytes long.
 Data: <&#232;>&#227;y&#170;           > E8 3E E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AA79E32D40, 16 bytes long.
 Data: <&#192;>&#227;y&#170;           > C0 3E E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AA79E312F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001AA79E32E30, 16 bytes long.
 Data: <&#184;^&#225;y&#170;           > B8 5E E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AA79E2B790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001AA79E33330, 16 bytes long.
 Data: <&#144;^&#225;y&#170;           > 90 5E E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AA79E33830, 16 bytes long.
 Data: <h^&#225;y&#170;           > 68 5E E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AA79E33790, 16 bytes long.
 Data: <@^&#225;y&#170;           > 40 5E E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AA79E33240, 16 bytes long.
 Data: < ^&#225;y&#170;           > 18 5E E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AA79E33150, 16 bytes long.
 Data: <&#240;]&#225;y&#170;           > F0 5D E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AA79E331F0, 16 bytes long.
 Data: <&#200;]&#225;y&#170;           > C8 5D E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AA79E2BA30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x000001AA79E335B0, 16 bytes long.
 Data: <&#160;]&#225;y&#170;           > A0 5D E1 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AA79E15DA0, 320 bytes long.
 Data: <&#176;5&#227;y&#170;   0&#186;&#226;y&#170;   > B0 35 E3 79 AA 01 00 00 30 BA E2 79 AA 01 00 00 
{267} normal block at 0x000001AA79E32DE0, 16 bytes long.
 Data: <&#160;>&#227;y&#170;           > A0 3E E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AA79E33740, 16 bytes long.
 Data: <x>&#227;y&#170;           > 78 3E E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AA79E2BFD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001AA79E338D0, 16 bytes long.
 Data: <P>&#227;y&#170;           > 50 3E E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AA79E2BE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001AA79E33BA0, 16 bytes long.
 Data: < =&#227;y&#170;           > 98 3D E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AA79E33B00, 16 bytes long.
 Data: <p=&#227;y&#170;           > 70 3D E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AA79E334C0, 16 bytes long.
 Data: <H=&#227;y&#170;           > 48 3D E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AA79E33B50, 16 bytes long.
 Data: < =&#227;y&#170;           > 20 3D E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AA79E33290, 16 bytes long.
 Data: <&#248;<&#227;y&#170;           > F8 3C E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AA79E333D0, 16 bytes long.
 Data: <&#208;<&#227;y&#170;           > D0 3C E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AA79E33560, 16 bytes long.
 Data: <&#176; &#227;y&#170;           > B0 14 E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AA79E314B0, 40 bytes long.
 Data: <`5&#227;y&#170;     &#227;y&#170;   > 60 35 E3 79 AA 01 00 00 00 16 E3 79 AA 01 00 00 
{253} normal block at 0x000001AA79E32CA0, 16 bytes long.
 Data: <&#176;<&#227;y&#170;           > B0 3C E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001AA79E33BF0, 16 bytes long.
 Data: < <&#227;y&#170;           > 88 3C E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001AA79E2C450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001AA79E33060, 16 bytes long.
 Data: <`<&#227;y&#170;           > 60 3C E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001AA79E33C60, 992 bytes long.
 Data: <`0&#227;y&#170;   P&#196;&#226;y&#170;   > 60 30 E3 79 AA 01 00 00 50 C4 E2 79 AA 01 00 00 
{85} normal block at 0x000001AA79E2BA90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001AA79E274B0, 16 bytes long.
 Data: <&#128; &#227;y&#170;           > 80 12 E3 79 AA 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001AA79E31280, 40 bytes long.
 Data: <&#176;t&#226;y&#170;   &#144;&#186;&#226;y&#170;   > B0 74 E2 79 AA 01 00 00 90 BA E2 79 AA 01 00 00 
{62} normal block at 0x000001AA79E26B00, 16 bytes long.
 Data: <&#128;&#234;8&#145;&#246;           > 80 EA 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AA79E27280, 16 bytes long.
 Data: <@&#233;8&#145;&#246;           > 40 E9 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AA79E27230, 16 bytes long.
 Data: <&#248;W5&#145;&#246;           > F8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AA79E26F10, 16 bytes long.
 Data: <&#216;W5&#145;&#246;           > D8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AA79E26E70, 16 bytes long.
 Data: <P 5&#145;&#246;           > 50 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AA79E275F0, 16 bytes long.
 Data: <0 5&#145;&#246;           > 30 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001AA79E27190, 16 bytes long.
 Data: <&#224; 5&#145;&#246;           > E0 02 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001AA79E27500, 16 bytes long.
 Data: <  5&#145;&#246;           > 10 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001AA79E27370, 16 bytes long.
 Data: <p 5&#145;&#246;           > 70 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001AA79E27140, 16 bytes long.
 Data: < &#192;3&#145;&#246;           > 18 C0 33 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra