Task 38683945

Name test_126-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6041_0
Workunit 31625479
Created 27 Oct 2026, 14:01:25 UTC
Sent 27 Oct 2026, 14:01:32 UTC
Report deadline 1 Nov 2026, 14:01:32 UTC
Received 27 Oct 2026, 15:03:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 59 min 3 sec
CPU time 53 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.75 MB
Peak swap size 11.28 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:05:53 (13592): wrapper (7.9.26016): starting
15:05:53 (13592): 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
15:05:55 (13592): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:05:55 (13592): 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\21\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\21\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
16:02:48 (13592): C:/Windows/system32/cmd.exe exited; CPU time 3216.015625
16:02:48 (13592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 46340009 bytes.
Dumping objects ->
{3835220} normal block at 0x00000174CFA95BE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000174CFA96040, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000174CFA95C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x00000174CFA95A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x00000174CFA95390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x00000174D16DD0B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835132} normal block at 0x00000174CFA67360, 8 bytes long.
 Data: <  &#161;&#207;t   > 00 00 A1 CF 74 01 00 00 
{3833949} normal block at 0x00000174CFA67AE0, 8 bytes long.
 Data: <&#208;&#137;s&#209;t   > D0 89 73 D1 74 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000174CFA70DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000174CFA55C70, 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 0x00000174CFA727C0, 16 bytes long.
 Data: <x0&#167;&#207;t           > 78 30 A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000174CFA72590, 16 bytes long.
 Data: <P0&#167;&#207;t           > 50 30 A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000174CFA68030, 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 0x00000174CFA726D0, 16 bytes long.
 Data: <(0&#167;&#207;t           > 28 30 A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000174CFA72540, 16 bytes long.
 Data: < 0&#167;&#207;t           > 00 30 A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000174CFA724F0, 16 bytes long.
 Data: <&#216;/&#167;&#207;t           > D8 2F A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000174CFA72770, 16 bytes long.
 Data: <&#176;/&#167;&#207;t           > B0 2F A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000174CFA6CCE0, 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 0x00000174CFA724A0, 16 bytes long.
 Data: < \&#165;&#207;t           > 08 5C A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000174CFA68AB0, 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 0x00000174CFA72450, 16 bytes long.
 Data: <&#224;[&#165;&#207;t           > E0 5B A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000174CFA72400, 16 bytes long.
 Data: <&#184;[&#165;&#207;t           > B8 5B A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000174CFA722C0, 16 bytes long.
 Data: < [&#165;&#207;t           > 90 5B A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000174CFA72270, 16 bytes long.
 Data: <h[&#165;&#207;t           > 68 5B A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000174CFA72220, 16 bytes long.
 Data: <@[&#165;&#207;t           > 40 5B A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000174CFA71D70, 16 bytes long.
 Data: < [&#165;&#207;t           > 18 5B A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000174CFA684B0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000174CFA729F0, 16 bytes long.
 Data: <&#240;Z&#165;&#207;t           > F0 5A A5 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000174CFA55AF0, 320 bytes long.
 Data: <&#240;)&#167;&#207;t   &#176;&#132;&#166;&#207;t   > F0 29 A7 CF 74 01 00 00 B0 84 A6 CF 74 01 00 00 
{270} normal block at 0x00000174CFA71CD0, 16 bytes long.
 Data: < /&#167;&#207;t           > 90 2F A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000174CFA725E0, 16 bytes long.
 Data: <h/&#167;&#207;t           > 68 2F A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000174CFA68450, 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 0x00000174CFA72130, 16 bytes long.
 Data: <@/&#167;&#207;t           > 40 2F A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000174CFA687B0, 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 0x00000174CFA71FA0, 16 bytes long.
 Data: < .&#167;&#207;t           > 88 2E A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000174CFA720E0, 16 bytes long.
 Data: <`.&#167;&#207;t           > 60 2E A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000174CFA72A90, 16 bytes long.
 Data: <8.&#167;&#207;t           > 38 2E A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000174CFA72950, 16 bytes long.
 Data: < .&#167;&#207;t           > 10 2E A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000174CFA72720, 16 bytes long.
 Data: <&#232;-&#167;&#207;t           > E8 2D A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000174CFA72860, 16 bytes long.
 Data: <&#192;-&#167;&#207;t           > C0 2D A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000174CFA723B0, 16 bytes long.
 Data: <&#192;&#205;&#166;&#207;t           > C0 CD A6 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000174CFA6CDC0, 40 bytes long.
 Data: <&#176;#&#167;&#207;t   &#176;&#208;m&#209;t   > B0 23 A7 CF 74 01 00 00 B0 D0 6D D1 74 01 00 00 
{256} normal block at 0x00000174CFA72360, 16 bytes long.
 Data: <&#160;-&#167;&#207;t           > A0 2D A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000174CFA72310, 16 bytes long.
 Data: <x-&#167;&#207;t           > 78 2D A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000174CFA68390, 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 0x00000174CFA721D0, 16 bytes long.
 Data: <P-&#167;&#207;t           > 50 2D A7 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000174CFA72D50, 992 bytes long.
 Data: <&#208;!&#167;&#207;t    &#131;&#166;&#207;t   > D0 21 A7 CF 74 01 00 00 90 83 A6 CF 74 01 00 00 
{88} normal block at 0x00000174CFA68270, 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 0x00000174CFA67540, 16 bytes long.
 Data: <`&#208;&#166;&#207;t           > 60 D0 A6 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000174CFA6D060, 40 bytes long.
 Data: <@u&#166;&#207;t   p&#130;&#166;&#207;t   > 40 75 A6 CF 74 01 00 00 70 82 A6 CF 74 01 00 00 
{65} normal block at 0x00000174CFA67720, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000174CFA67130, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000174CFA67950, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000174CFA670E0, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000174CFA67C70, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000174CFA67D60, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000174CFA67090, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000174CFA67180, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000174CFA67630, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000174CFA67220, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra