Task 38695090

Name test_283-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND3732_0
Workunit 31635809
Created 31 Oct 2026, 6:19:09 UTC
Sent 31 Oct 2026, 6:19:14 UTC
Report deadline 5 Nov 2026, 6:19:14 UTC
Received 31 Oct 2026, 7:40:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640529
Run time 39 min 33 sec
CPU time 36 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.55 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:00:57 (13732): wrapper (7.9.26016): starting
00:00:57 (13732): 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
00:00:58 (13732): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:00:58 (13732): 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\6\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\6\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
00:39:34 (13732): C:/Windows/system32/cmd.exe exited; CPU time 2179.875000
00:39:34 (13732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 27918015 bytes.
Dumping objects ->
{3835192} normal block at 0x0000014007CD4950, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x0000014009A8FB40, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835170} normal block at 0x0000014009A8F180, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835159} normal block at 0x0000014009A8FC60, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835148} normal block at 0x0000014009A8F840, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x0000014007CD48E0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x0000014007CCDAB0, 8 bytes long.
 Data: <    @   > 00 00 16 08 40 01 00 00 
{3833949} normal block at 0x0000014007CCD2E0, 8 bytes long.
 Data: < &#156;&#207; @   > 20 9C CF 07 40 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000014007CD12E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014007CC59D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000014007CD51A0, 16 bytes long.
 Data: <&#248;b&#205; @           > F8 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014007CD5060, 16 bytes long.
 Data: <&#208;b&#205; @           > D0 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014007CCF370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000014007CD5EC0, 16 bytes long.
 Data: <&#168;b&#205; @           > A8 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014007CD5290, 16 bytes long.
 Data: < b&#205; @           > 80 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014007CD5BF0, 16 bytes long.
 Data: <Xb&#205; @           > 58 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014007CD5F10, 16 bytes long.
 Data: <0b&#205; @           > 30 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014007CD4800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000014007CD5560, 16 bytes long.
 Data: < &#231;&#204; @           > 88 E7 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014007CCEA10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000014007CD5650, 16 bytes long.
 Data: <`&#231;&#204; @           > 60 E7 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014007CD5240, 16 bytes long.
 Data: <8&#231;&#204; @           > 38 E7 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014007CD56A0, 16 bytes long.
 Data: < &#231;&#204; @           > 10 E7 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014007CD5970, 16 bytes long.
 Data: <&#232;&#230;&#204; @           > E8 E6 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014007CD5BA0, 16 bytes long.
 Data: <&#192;&#230;&#204; @           > C0 E6 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014007CD51F0, 16 bytes long.
 Data: < &#230;&#204; @           > 98 E6 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014007CCEE90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000014007CD5830, 16 bytes long.
 Data: <p&#230;&#204; @           > 70 E6 CC 07 40 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014007CCE670, 320 bytes long.
 Data: <0X&#205; @    &#238;&#204; @   > 30 58 CD 07 40 01 00 00 90 EE CC 07 40 01 00 00 
{270} normal block at 0x0000014007CD5B50, 16 bytes long.
 Data: < b&#205; @           > 10 62 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014007CD5E20, 16 bytes long.
 Data: <&#232;a&#205; @           > E8 61 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014007CCEF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000014007CD5B00, 16 bytes long.
 Data: <&#192;a&#205; @           > C0 61 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014007CCED10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000014007CD5100, 16 bytes long.
 Data: < a&#205; @           > 08 61 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014007CD5C90, 16 bytes long.
 Data: <&#224;`&#205; @           > E0 60 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014007CD5DD0, 16 bytes long.
 Data: <&#184;`&#205; @           > B8 60 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014007CD5510, 16 bytes long.
 Data: < `&#205; @           > 90 60 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014007CD5D30, 16 bytes long.
 Data: <h`&#205; @           > 68 60 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014007CD5010, 16 bytes long.
 Data: <@`&#205; @           > 40 60 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014007CD5CE0, 16 bytes long.
 Data: <&#240;K&#205; @           > F0 4B CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014007CD4BF0, 40 bytes long.
 Data: <&#224;\&#205; @   &#224;H&#205; @   > E0 5C CD 07 40 01 00 00 E0 48 CD 07 40 01 00 00 
{256} normal block at 0x0000014007CD50B0, 16 bytes long.
 Data: < `&#205; @           > 20 60 CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000014007CD5C40, 16 bytes long.
 Data: <&#248;_&#205; @           > F8 5F CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014007CCE9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000014007CD5A60, 16 bytes long.
 Data: <&#208;_&#205; @           > D0 5F CD 07 40 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000014007CD5FD0, 992 bytes long.
 Data: <`Z&#205; @   &#176;&#233;&#204; @   > 60 5A CD 07 40 01 00 00 B0 E9 CC 07 40 01 00 00 
{88} normal block at 0x0000014007CCF4F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000014007CCD060, 16 bytes long.
 Data: <&#208;&#240;&#203; @           > D0 F0 CB 07 40 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000014007CBF0D0, 40 bytes long.
 Data: <`&#208;&#204; @   &#240;&#244;&#204; @   > 60 D0 CC 07 40 01 00 00 F0 F4 CC 07 40 01 00 00 
{65} normal block at 0x0000014007CCD1F0, 16 bytes long.
 Data: < &#234;Z&#207;&#247;           > 80 EA 5A CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014007CCCED0, 16 bytes long.
 Data: <@&#233;Z&#207;&#247;           > 40 E9 5A CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014007CCD6A0, 16 bytes long.
 Data: <&#248;WW&#207;&#247;           > F8 57 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014007CCD010, 16 bytes long.
 Data: <&#216;WW&#207;&#247;           > D8 57 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014007CCD240, 16 bytes long.
 Data: <P W&#207;&#247;           > 50 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014007CCDA60, 16 bytes long.
 Data: <0 W&#207;&#247;           > 30 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014007CCD650, 16 bytes long.
 Data: <&#224; W&#207;&#247;           > E0 02 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014007CCDA10, 16 bytes long.
 Data: <  W&#207;&#247;           > 10 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014007CCD8D0, 16 bytes long.
 Data: <p W&#207;&#247;           > 70 04 57 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000014007CCD100, 16 bytes long.
 Data: < &#192;U&#207;&#247;           > 18 C0 55 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra