Task 38675888

Name test_681-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND5758_0
Workunit 31617836
Created 26 Oct 2026, 9:38:05 UTC
Sent 26 Oct 2026, 9:38:14 UTC
Report deadline 31 Oct 2026, 9:38:14 UTC
Received 26 Oct 2026, 11:52:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 1 min 5 sec
CPU time 1 hours 54 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,538.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.61 MB
Peak swap size 2.20 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:54:36 (9484): wrapper (7.9.26016): starting
10:54:36 (9484): 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
10:54:38 (9484): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:54:38 (9484): 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
12:51:28 (9484): C:/Windows/system32/cmd.exe exited; CPU time 6871.218750
12:51:28 (9484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 73566235 bytes.
Dumping objects ->
{3835251} normal block at 0x00000260710E1A60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000260710E10C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000260710E1130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x00000260710E17C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000260710E1360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002607118C0B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000260712747E0, 145 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) : {3835162} normal block at 0x000002606F766D00, 8 bytes long.
 Data: <  to`   > 00 00 74 6F 60 02 00 00 
{3834548} normal block at 0x0000026071274710, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002606F766E40, 8 bytes long.
 Data: <&#160;&#233; q`   > A0 E9 0E 71 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002606F770F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002606F755B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002606F772BF0, 16 bytes long.
 Data: <h1wo`           > 68 31 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002606F772420, 16 bytes long.
 Data: <@1wo`           > 40 31 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002606F76CB00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002606F7727E0, 16 bytes long.
 Data: < 1wo`           > 18 31 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002606F772970, 16 bytes long.
 Data: <&#240;0wo`           > F0 30 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002606F772790, 16 bytes long.
 Data: <&#200;0wo`           > C8 30 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002606F772740, 16 bytes long.
 Data: <&#160;0wo`           > A0 30 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002606F76BBD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002606F772B00, 16 bytes long.
 Data: < &#187;uo`           > 18 BB 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002606F76C9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002606F771F70, 16 bytes long.
 Data: <&#240;&#186;uo`           > F0 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002606F7723D0, 16 bytes long.
 Data: <&#200;&#186;uo`           > C8 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002606F772100, 16 bytes long.
 Data: <&#160;&#186;uo`           > A0 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002606F772380, 16 bytes long.
 Data: <x&#186;uo`           > 78 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002606F772650, 16 bytes long.
 Data: <P&#186;uo`           > 50 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002606F771FC0, 16 bytes long.
 Data: <(&#186;uo`           > 28 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002606F76D640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002606F7722E0, 16 bytes long.
 Data: < &#186;uo`           > 00 BA 75 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002606F75BA00, 320 bytes long.
 Data: <&#224;"wo`   @&#214;vo`   > E0 22 77 6F 60 02 00 00 40 D6 76 6F 60 02 00 00 
{268} normal block at 0x000002606F772600, 16 bytes long.
 Data: < 0wo`           > 80 30 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002606F7720B0, 16 bytes long.
 Data: <X0wo`           > 58 30 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002606F76D6A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002606F772330, 16 bytes long.
 Data: <00wo`           > 30 30 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002606F76D3A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002606F772060, 16 bytes long.
 Data: <x/wo`           > 78 2F 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002606F7724C0, 16 bytes long.
 Data: <P/wo`           > 50 2F 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002606F7726A0, 16 bytes long.
 Data: <(/wo`           > 28 2F 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002606F772BA0, 16 bytes long.
 Data: < /wo`           > 00 2F 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002606F7725B0, 16 bytes long.
 Data: <&#216;.wo`           > D8 2E 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002606F772560, 16 bytes long.
 Data: <&#176;.wo`           > B0 2E 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002606F771F20, 16 bytes long.
 Data: <&#192;&#184;vo`           > C0 B8 76 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002606F76B8C0, 40 bytes long.
 Data: <  wo`   &#176;&#192; q`   > 20 1F 77 6F 60 02 00 00 B0 C0 18 71 60 02 00 00 
{254} normal block at 0x000002606F7726F0, 16 bytes long.
 Data: < .wo`           > 90 2E 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002606F772240, 16 bytes long.
 Data: <h.wo`           > 68 2E 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002606F76C980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002606F772290, 16 bytes long.
 Data: <@.wo`           > 40 2E 77 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002606F772E40, 992 bytes long.
 Data: < "wo`    &#201;vo`   > 90 22 77 6F 60 02 00 00 80 C9 76 6F 60 02 00 00 
{86} normal block at 0x000002606F76CFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002606F767390, 16 bytes long.
 Data: <&#176;&#181;vo`           > B0 B5 76 6F 60 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002606F76B5B0, 40 bytes long.
 Data: < svo`   &#224;&#207;vo`   > 90 73 76 6F 60 02 00 00 E0 CF 76 6F 60 02 00 00 
{63} normal block at 0x000002606F7672F0, 16 bytes long.
 Data: < &#234;&#154;&#165;&#246;           > 80 EA 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002606F7670C0, 16 bytes long.
 Data: <@&#233;&#154;&#165;&#246;           > 40 E9 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002606F766AD0, 16 bytes long.
 Data: <&#248;W&#151;&#165;&#246;           > F8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002606F766850, 16 bytes long.
 Data: <&#216;W&#151;&#165;&#246;           > D8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002606F766940, 16 bytes long.
 Data: <P &#151;&#165;&#246;           > 50 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002606F767570, 16 bytes long.
 Data: <0 &#151;&#165;&#246;           > 30 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002606F767070, 16 bytes long.
 Data: <&#224; &#151;&#165;&#246;           > E0 02 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002606F766F80, 16 bytes long.
 Data: <  &#151;&#165;&#246;           > 10 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002606F767020, 16 bytes long.
 Data: <p &#151;&#165;&#246;           > 70 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002606F766CB0, 16 bytes long.
 Data: < &#192;&#149;&#165;&#246;           > 18 C0 95 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra