Task 38686763

Name test_721-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5509_0
Workunit 31628182
Created 28 Oct 2026, 4:15:27 UTC
Sent 28 Oct 2026, 4:15:31 UTC
Report deadline 2 Nov 2026, 4:15:31 UTC
Received 28 Oct 2026, 5:31:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 41 min 4 sec
CPU time 37 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.30 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:51:30 (25972): wrapper (7.9.26016): starting
00:51:30 (25972): 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
00:51:32 (25972): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:51:32 (25972): 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\28\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\28\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
01:30:47 (25972): C:/Windows/system32/cmd.exe exited; CPU time 2278.015625
01:30:47 (25972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 49373433 bytes.
Dumping objects ->
{3835284} normal block at 0x000001E15FF0DCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000001E15E0B4970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000001E15E0B4890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x000001E15E0B4820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001E15E0B47B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x000001E15FF55780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001E15FF6E890, 102 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) : {3835195} normal block at 0x000001E15E0AFAF0, 8 bytes long.
 Data: <  U^&#225;   > 00 00 55 5E E1 01 00 00 
{3834571} normal block at 0x000001E15FF6E7E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001E15E0AFDC0, 8 bytes long.
 Data: < 9&#251;_&#225;   > 80 39 FB 5F E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E15E0A6380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E15E0A71F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001E15E0B60A0, 16 bytes long.
 Data: < g ^&#225;           > 08 67 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E15E0B5560, 16 bytes long.
 Data: <&#224;f ^&#225;           > E0 66 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E15E0B0B00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001E15E0B5420, 16 bytes long.
 Data: <&#184;f ^&#225;           > B8 66 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E15E0B5D30, 16 bytes long.
 Data: < f ^&#225;           > 90 66 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E15E0B5740, 16 bytes long.
 Data: <hf ^&#225;           > 68 66 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E15E0B5920, 16 bytes long.
 Data: <@f ^&#225;           > 40 66 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E15E0B46D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001E15E0B5600, 16 bytes long.
 Data: <&#248;&#159; ^&#225;           > F8 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E15E0B0920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001E15E0B6050, 16 bytes long.
 Data: <&#208;&#159; ^&#225;           > D0 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E15E0B5FB0, 16 bytes long.
 Data: <&#168;&#159; ^&#225;           > A8 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E15E0B54C0, 16 bytes long.
 Data: < &#159; ^&#225;           > 80 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E15E0B56F0, 16 bytes long.
 Data: <X&#159; ^&#225;           > 58 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E15E0B5830, 16 bytes long.
 Data: <0&#159; ^&#225;           > 30 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E15E0B57E0, 16 bytes long.
 Data: < &#159; ^&#225;           > 08 9F 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E15E0B12E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001E15E0B5A10, 16 bytes long.
 Data: <&#224;&#158; ^&#225;           > E0 9E 0A 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E15E0A9EE0, 320 bytes long.
 Data: < Z ^&#225;   &#224;  ^&#225;   > 10 5A 0B 5E E1 01 00 00 E0 12 0B 5E E1 01 00 00 
{277} normal block at 0x000001E15E0B5A60, 16 bytes long.
 Data: < f ^&#225;           > 20 66 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E15E0B6370, 16 bytes long.
 Data: <&#248;e ^&#225;           > F8 65 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E15E0B1580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001E15E0B56A0, 16 bytes long.
 Data: <&#208;e ^&#225;           > D0 65 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E15E0B1160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001E15E0B6280, 16 bytes long.
 Data: < e ^&#225;           > 18 65 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E15E0B6230, 16 bytes long.
 Data: <&#240;d ^&#225;           > F0 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E15E0B5470, 16 bytes long.
 Data: <&#200;d ^&#225;           > C8 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E15E0B6320, 16 bytes long.
 Data: <&#160;d ^&#225;           > A0 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E15E0B5650, 16 bytes long.
 Data: <xd ^&#225;           > 78 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E15E0B55B0, 16 bytes long.
 Data: <Pd ^&#225;           > 50 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E15E0B61E0, 16 bytes long.
 Data: <`F ^&#225;           > 60 46 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E15E0B4660, 40 bytes long.
 Data: <&#224;a ^&#225;    W&#245;_&#225;   > E0 61 0B 5E E1 01 00 00 80 57 F5 5F E1 01 00 00 
{263} normal block at 0x000001E15E0B5790, 16 bytes long.
 Data: <0d ^&#225;           > 30 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E15E0B6190, 16 bytes long.
 Data: < d ^&#225;           > 08 64 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E15E0B1460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001E15E0B6000, 16 bytes long.
 Data: <&#224;c ^&#225;           > E0 63 0B 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E15E0B63E0, 992 bytes long.
 Data: < ` ^&#225;   `  ^&#225;   > 00 60 0B 5E E1 01 00 00 60 14 0B 5E E1 01 00 00 
{95} normal block at 0x000001E15E0B0DA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001E15E0AFAA0, 16 bytes long.
 Data: <`&#201;	^&#225;           > 60 C9 09 5E E1 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E15E09C960, 40 bytes long.
 Data: <&#160;&#250; ^&#225;   &#160;  ^&#225;   > A0 FA 0A 5E E1 01 00 00 A0 0D 0B 5E E1 01 00 00 
{72} normal block at 0x000001E15E0AF780, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E15E0B00E0, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E15E0B0680, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E15E0B05E0, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E15E0AFF50, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E15E0AFFF0, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E15E0B0540, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E15E0AF870, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E15E0AFA00, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E15E0AF9B0, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra