Task 38683480

Name test_232-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5183_0
Workunit 31625035
Created 27 Oct 2026, 11:58:24 UTC
Sent 27 Oct 2026, 11:58:26 UTC
Report deadline 1 Nov 2026, 11:58:26 UTC
Received 27 Oct 2026, 17:20:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 26 min 30 sec
CPU time 1 hours 17 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.39 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:56:17 (30276): wrapper (7.9.26016): starting
16:56:17 (30276): 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
16:56:20 (30276): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:56:20 (30276): 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\16\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\16\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
18:20:26 (30276): C:/Windows/system32/cmd.exe exited; CPU time 4644.859375
18:20:26 (30276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 123673277 bytes.
Dumping objects ->
{3835538} normal block at 0x0000027A50847910, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x0000027A524A30B0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x0000027A524A2ED0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x0000027A524A27B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x0000027A524A2930, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x0000027A50847B40, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x0000027A508AC0E0, 140 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) : {3835449} normal block at 0x0000027A5083EDE0, 8 bytes long.
 Data: <  &#189;Pz   > 00 00 BD 50 7A 02 00 00 
{3834706} normal block at 0x0000027A508AC010, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000027A5083E980, 8 bytes long.
 Data: <&#176;tKRz   > B0 74 4B 52 7A 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000027A5083FA30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000027A50836FD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000027A50846B10, 16 bytes long.
 Data: < u&#132;Pz           > 98 75 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027A50846AC0, 16 bytes long.
 Data: <pu&#132;Pz           > 70 75 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027A50841280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000027A508465C0, 16 bytes long.
 Data: <Hu&#132;Pz           > 48 75 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027A50846390, 16 bytes long.
 Data: < u&#132;Pz           > 20 75 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027A508469D0, 16 bytes long.
 Data: <&#248;t&#132;Pz           > F8 74 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027A50846570, 16 bytes long.
 Data: <&#208;t&#132;Pz           > D0 74 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027A508477C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000027A50845D50, 16 bytes long.
 Data: <&#168;&#253;&#130;Pz           > A8 FD 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027A50841A00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000027A50846C50, 16 bytes long.
 Data: < &#253;&#130;Pz           > 80 FD 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027A50846750, 16 bytes long.
 Data: <X&#253;&#130;Pz           > 58 FD 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027A50846890, 16 bytes long.
 Data: <0&#253;&#130;Pz           > 30 FD 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027A50846340, 16 bytes long.
 Data: < &#253;&#130;Pz           > 08 FD 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027A50846C00, 16 bytes long.
 Data: <&#224;&#252;&#130;Pz           > E0 FC 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027A50845FD0, 16 bytes long.
 Data: <&#184;&#252;&#130;Pz           > B8 FC 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027A50841460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000027A50845D00, 16 bytes long.
 Data: < &#252;&#130;Pz           > 90 FC 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027A5082FC90, 320 bytes long.
 Data: < ]&#132;Pz   ` &#132;Pz   > 00 5D 84 50 7A 02 00 00 60 14 84 50 7A 02 00 00 
{281} normal block at 0x0000027A508464D0, 16 bytes long.
 Data: <&#176;t&#132;Pz           > B0 74 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027A508462A0, 16 bytes long.
 Data: < t&#132;Pz           > 88 74 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027A508419A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000027A50846930, 16 bytes long.
 Data: <`t&#132;Pz           > 60 74 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027A50841100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000027A50846480, 16 bytes long.
 Data: <&#168;s&#132;Pz           > A8 73 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027A50846700, 16 bytes long.
 Data: < s&#132;Pz           > 80 73 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027A508467F0, 16 bytes long.
 Data: <Xs&#132;Pz           > 58 73 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027A508466B0, 16 bytes long.
 Data: <0s&#132;Pz           > 30 73 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027A50846110, 16 bytes long.
 Data: < s&#132;Pz           > 08 73 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027A508462F0, 16 bytes long.
 Data: <&#224;r&#132;Pz           > E0 72 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027A50845EE0, 16 bytes long.
 Data: <&#224; &#132;Pz           > E0 07 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027A508407E0, 40 bytes long.
 Data: <&#224;^&#132;Pz   @{&#132;Pz   > E0 5E 84 50 7A 02 00 00 40 7B 84 50 7A 02 00 00 
{267} normal block at 0x0000027A50845E40, 16 bytes long.
 Data: <&#192;r&#132;Pz           > C0 72 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027A50846070, 16 bytes long.
 Data: < r&#132;Pz           > 98 72 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027A50841220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000027A50846430, 16 bytes long.
 Data: <pr&#132;Pz           > 70 72 84 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027A50847270, 992 bytes long.
 Data: <0d&#132;Pz     &#132;Pz   > 30 64 84 50 7A 02 00 00 20 12 84 50 7A 02 00 00 
{99} normal block at 0x0000027A50840E00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000027A5083E610, 16 bytes long.
 Data: <P &#130;Pz           > 50 98 82 50 7A 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000027A50829850, 40 bytes long.
 Data: < &#230;&#131;Pz     &#132;Pz   > 10 E6 83 50 7A 02 00 00 00 0E 84 50 7A 02 00 00 
{76} normal block at 0x0000027A5083E8E0, 16 bytes long.
 Data: < &#234;&#219; &#246;           > 80 EA DB 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027A5083ED40, 16 bytes long.
 Data: <@&#233;&#219; &#246;           > 40 E9 DB 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027A5083F010, 16 bytes long.
 Data: <&#248;W&#216; &#246;           > F8 57 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027A5083E7A0, 16 bytes long.
 Data: <&#216;W&#216; &#246;           > D8 57 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027A5083ECF0, 16 bytes long.
 Data: <P &#216; &#246;           > 50 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027A5083ED90, 16 bytes long.
 Data: <0 &#216; &#246;           > 30 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027A5083E7F0, 16 bytes long.
 Data: <&#224; &#216; &#246;           > E0 02 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027A5083EB60, 16 bytes long.
 Data: <  &#216; &#246;           > 10 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027A5083EC50, 16 bytes long.
 Data: <p &#216; &#246;           > 70 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027A5083EE30, 16 bytes long.
 Data: < &#192;&#214; &#246;           > 18 C0 D6 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra