Task 38681690

Name test_97-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5737_0
Workunit 31623346
Created 27 Oct 2026, 4:58:20 UTC
Sent 27 Oct 2026, 4:58:21 UTC
Report deadline 1 Nov 2026, 4:58:21 UTC
Received 27 Oct 2026, 5:52:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 34 min 14 sec
CPU time 30 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.14 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:17:44 (6332): wrapper (7.9.26016): starting
07:17:44 (6332): 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
07:17:46 (6332): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:17:46 (6332): 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\24\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\24\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
07:51:36 (6332): C:/Windows/system32/cmd.exe exited; CPU time 1859.796875
07:51:36 (6332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 36682379 bytes.
Dumping objects ->
{3835255} normal block at 0x00000260AD522830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x00000260AD522B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000260AD522FA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x00000260AD5232B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000260AD522DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x00000260AF21CB70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000260AF168130, 180 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) : {3835166} normal block at 0x00000260AD4F57E0, 8 bytes long.
 Data: <  G&#173;`   > 00 00 47 AD 60 02 00 00 
{3834558} normal block at 0x00000260AF168040, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000260AD4F5D80, 8 bytes long.
 Data: <&#192;EU&#173;`   > C0 45 55 AD 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000260AD4FDF70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000260AD4FEFF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000260AD4FFAF0, 16 bytes long.
 Data: <  P&#173;`           > 88 05 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000260AD4FFA00, 16 bytes long.
 Data: <` P&#173;`           > 60 05 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000260AD4FA2C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000260AD4FF8C0, 16 bytes long.
 Data: <8 P&#173;`           > 38 05 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000260AD4FFAA0, 16 bytes long.
 Data: <  P&#173;`           > 10 05 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000260AD4FF460, 16 bytes long.
 Data: <&#232; P&#173;`           > E8 04 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000260AD4FFCD0, 16 bytes long.
 Data: <&#192; P&#173;`           > C0 04 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000260AD4F8670, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000260AD4FF690, 16 bytes long.
 Data: < &#239;O&#173;`           > 88 EF 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000260AD4FA140, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000260AD4FF230, 16 bytes long.
 Data: <`&#239;O&#173;`           > 60 EF 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000260AD4FF140, 16 bytes long.
 Data: <8&#239;O&#173;`           > 38 EF 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000260AD4FF870, 16 bytes long.
 Data: < &#239;O&#173;`           > 10 EF 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000260AD4FF9B0, 16 bytes long.
 Data: <&#232;&#238;O&#173;`           > E8 EE 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000260AD4FFD20, 16 bytes long.
 Data: <&#192;&#238;O&#173;`           > C0 EE 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000260AD4FFF00, 16 bytes long.
 Data: < &#238;O&#173;`           > 98 EE 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000260AD4FA0E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000260AD4FF5F0, 16 bytes long.
 Data: <p&#238;O&#173;`           > 70 EE 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000260AD4FEE70, 320 bytes long.
 Data: <&#240;&#245;O&#173;`   &#224;&#160;O&#173;`   > F0 F5 4F AD 60 02 00 00 E0 A0 4F AD 60 02 00 00 
{273} normal block at 0x00000260AD4FF7D0, 16 bytes long.
 Data: <&#160; P&#173;`           > A0 04 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000260AD4FFB90, 16 bytes long.
 Data: <x P&#173;`           > 78 04 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000260AD4F9FC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000260AD4FF1E0, 16 bytes long.
 Data: <P P&#173;`           > 50 04 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000260AD4F9C60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000260AD4FF3C0, 16 bytes long.
 Data: <  P&#173;`           > 98 03 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000260AD4FF4B0, 16 bytes long.
 Data: <p P&#173;`           > 70 03 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000260AD4FF320, 16 bytes long.
 Data: <H P&#173;`           > 48 03 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000260AD4FF960, 16 bytes long.
 Data: <  P&#173;`           > 20 03 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000260AD4FF780, 16 bytes long.
 Data: <&#248; P&#173;`           > F8 02 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000260AD4FFFA0, 16 bytes long.
 Data: <&#208; P&#173;`           > D0 02 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000260AD4FF0F0, 16 bytes long.
 Data: <&#160;&#129;O&#173;`           > A0 81 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000260AD4F81A0, 40 bytes long.
 Data: <&#240;&#240;O&#173;`   p&#203;!&#175;`   > F0 F0 4F AD 60 02 00 00 70 CB 21 AF 60 02 00 00 
{259} normal block at 0x00000260AD4FFC30, 16 bytes long.
 Data: <&#176; P&#173;`           > B0 02 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000260AD4FF410, 16 bytes long.
 Data: <  P&#173;`           > 88 02 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000260AD4F9AE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000260AD4FF640, 16 bytes long.
 Data: <` P&#173;`           > 60 02 50 AD 60 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000260AD500260, 992 bytes long.
 Data: <@&#246;O&#173;`   &#224;&#154;O&#173;`   > 40 F6 4F AD 60 02 00 00 E0 9A 4F AD 60 02 00 00 
{91} normal block at 0x00000260AD4FA200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000260AD4F6280, 16 bytes long.
 Data: <&#128;&#130;O&#173;`           > 80 82 4F AD 60 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000260AD4F8280, 40 bytes long.
 Data: <&#128;bO&#173;`    &#162;O&#173;`   > 80 62 4F AD 60 02 00 00 00 A2 4F AD 60 02 00 00 
{68} normal block at 0x00000260AD4F59C0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000260AD4F5CE0, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000260AD4F6190, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000260AD4F5970, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000260AD4F5F10, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000260AD4F5880, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000260AD4F5790, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000260AD4F56F0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000260AD4F6140, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000260AD4F6230, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra