Task 38668616

Name test_570-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5298_1
Workunit 31611076
Created 25 Oct 2026, 12:15:24 UTC
Sent 25 Oct 2026, 12:15:29 UTC
Report deadline 30 Oct 2026, 12:15:29 UTC
Received 25 Oct 2026, 13:58:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 33 min 27 sec
CPU time 33 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.27 MB
Peak swap size 12.81 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:25:07 (13604): wrapper (7.9.26016): starting
08:25:07 (13604): 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
08:25:08 (13604): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:25:08 (13604): 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\33\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\33\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
08:57:46 (13604): C:/Windows/system32/cmd.exe exited; CPU time 1987.109375
08:57:46 (13604): 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: 31767505 bytes.
Dumping objects ->
{3835543} normal block at 0x0000022C80073450, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000022C800733E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835521} normal block at 0x0000022C80073A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835510} normal block at 0x0000022C80073610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x0000022C80073840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835468} normal block at 0x0000022C81E5B820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000022C81EBCE30, 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) : {3835454} normal block at 0x0000022C8006F060, 8 bytes long.
 Data: <  Y ,   > 00 00 59 80 2C 02 00 00 
{3834676} normal block at 0x0000022C81EBD1A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000022C8006EDE0, 8 bytes long.
 Data: <P&#245;&#242; ,   > 50 F5 F2 81 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000022C80065700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C800660B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000022C80074150, 16 bytes long.
 Data: <&#200;>  ,           > C8 3E 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C80074060, 16 bytes long.
 Data: <&#160;>  ,           > A0 3E 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C800717D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000022C800746F0, 16 bytes long.
 Data: <x>  ,           > 78 3E 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C80074970, 16 bytes long.
 Data: <P>  ,           > 50 3E 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C80074E20, 16 bytes long.
 Data: <(>  ,           > 28 3E 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C80074DD0, 16 bytes long.
 Data: < >  ,           > 00 3E 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C800734C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000022C80074D30, 16 bytes long.
 Data: <X&#240;  ,           > 58 F0 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C80071DD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000022C80074290, 16 bytes long.
 Data: <0&#240;  ,           > 30 F0 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022C800746A0, 16 bytes long.
 Data: < &#240;  ,           > 08 F0 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C80074D80, 16 bytes long.
 Data: <&#224;&#239;  ,           > E0 EF 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C80074CE0, 16 bytes long.
 Data: <&#184;&#239;  ,           > B8 EF 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C80074EC0, 16 bytes long.
 Data: < &#239;  ,           > 90 EF 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C800745B0, 16 bytes long.
 Data: <h&#239;  ,           > 68 EF 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022C80070FF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000022C800740B0, 16 bytes long.
 Data: <@&#239;  ,           > 40 EF 05 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C8005EF40, 320 bytes long.
 Data: <&#176;@  ,   &#240;   ,   > B0 40 07 80 2C 02 00 00 F0 0F 07 80 2C 02 00 00 
{266} normal block at 0x0000022C80074E70, 16 bytes long.
 Data: <&#224;=  ,           > E0 3D 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C80074A60, 16 bytes long.
 Data: <&#184;=  ,           > B8 3D 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C80071590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000022C800747E0, 16 bytes long.
 Data: < =  ,           > 90 3D 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C800718F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000022C800741A0, 16 bytes long.
 Data: <&#216;<  ,           > D8 3C 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C80074600, 16 bytes long.
 Data: <&#176;<  ,           > B0 3C 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C8006EF70, 16 bytes long.
 Data: < <  ,           > 88 3C 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022C8006F830, 16 bytes long.
 Data: <`<  ,           > 60 3C 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022C8006F7E0, 16 bytes long.
 Data: <8<  ,           > 38 3C 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022C8006F970, 16 bytes long.
 Data: < <  ,           > 10 3C 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022C8006F740, 16 bytes long.
 Data: < 9  ,           > 20 39 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022C80073920, 40 bytes long.
 Data: <@&#247;  ,    &#184;&#229; ,   > 40 F7 06 80 2C 02 00 00 20 B8 E5 81 2C 02 00 00 
{252} normal block at 0x0000022C8006F6A0, 16 bytes long.
 Data: <&#240;;  ,           > F0 3B 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022C8006F560, 16 bytes long.
 Data: <&#200;;  ,           > C8 3B 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022C80071410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000022C8006F330, 16 bytes long.
 Data: <&#160;;  ,           > A0 3B 07 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000022C80073BA0, 992 bytes long.
 Data: <0&#243;  ,       ,   > 30 F3 06 80 2C 02 00 00 10 14 07 80 2C 02 00 00 
{84} normal block at 0x0000022C80071830, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000022C8006ECA0, 16 bytes long.
 Data: < &#233;  ,           > 80 E9 06 80 2C 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000022C8006E980, 40 bytes long.
 Data: <&#160;&#236;  ,   0   ,   > A0 EC 06 80 2C 02 00 00 30 18 07 80 2C 02 00 00 
{61} normal block at 0x0000022C8006EC50, 16 bytes long.
 Data: < &#234;0 &#247;           > 80 EA 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C8006F9C0, 16 bytes long.
 Data: <@&#233;0 &#247;           > 40 E9 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022C8006EAC0, 16 bytes long.
 Data: <&#248;W- &#247;           > F8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022C8006F1F0, 16 bytes long.
 Data: <&#216;W- &#247;           > D8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022C8006FA10, 16 bytes long.
 Data: <P - &#247;           > 50 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022C8006EF20, 16 bytes long.
 Data: <0 - &#247;           > 30 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022C8006F150, 16 bytes long.
 Data: <&#224; - &#247;           > E0 02 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000022C8006F6F0, 16 bytes long.
 Data: <  - &#247;           > 10 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000022C8006ED90, 16 bytes long.
 Data: <p - &#247;           > 70 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000022C8006F600, 16 bytes long.
 Data: < &#192;+ &#247;           > 18 C0 2B 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra