Task 38688139

Name test_747-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7757_0
Workunit 31629508
Created 28 Oct 2026, 11:55:15 UTC
Sent 28 Oct 2026, 11:55:22 UTC
Report deadline 2 Nov 2026, 11:55:22 UTC
Received 28 Oct 2026, 12:26:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 30 min 38 sec
CPU time 28 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 799.21 MB
Peak swap size 13.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:57:42 (1400): wrapper (7.9.26016): starting
04:57:42 (1400): 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
04:57:43 (1400): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:57:43 (1400): 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\32\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\32\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
05:26:27 (1400): C:/Windows/system32/cmd.exe exited; CPU time 1710.296875
05:26:27 (1400): 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: 40992921 bytes.
Dumping objects ->
{3835451} normal block at 0x000002426E1D66A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000002426E1D6630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x000002426E1D65C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x000002426E1D6550, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000002426E1D64E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000002426FF76110, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000002426FF8ECD0, 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) : {3835362} normal block at 0x000002426E1CD470, 8 bytes long.
 Data: <  tnB   > 00 00 74 6E 42 02 00 00 
{3834640} normal block at 0x000002426FF8F0F0, 102 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 0x000002426E1CDFB0, 8 bytes long.
 Data: < &#229;&#228;oB   > 20 E5 E4 6F 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002426E1D0680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002426E1C6340, 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 0x000002426E1D57C0, 16 bytes long.
 Data: <(c nB           > 28 63 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002426E1D54F0, 16 bytes long.
 Data: < c nB           > 00 63 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002426E1D17A0, 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 0x000002426E1D5A90, 16 bytes long.
 Data: <&#216;b nB           > D8 62 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002426E1D5A40, 16 bytes long.
 Data: <&#176;b nB           > B0 62 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002426E1D5C70, 16 bytes long.
 Data: < b nB           > 88 62 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002426E1D5360, 16 bytes long.
 Data: <`b nB           > 60 62 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002426E1D68D0, 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 0x000002426E1D5310, 16 bytes long.
 Data: <   nB           > 08 8F 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002426E1D25E0, 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 0x000002426E1D5630, 16 bytes long.
 Data: <&#224;&#142; nB           > E0 8E 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002426E1D52C0, 16 bytes long.
 Data: <&#184;&#142; nB           > B8 8E 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002426E1D56D0, 16 bytes long.
 Data: < &#142; nB           > 90 8E 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002426E1D5900, 16 bytes long.
 Data: <h&#142; nB           > 68 8E 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002426E1D5810, 16 bytes long.
 Data: <@&#142; nB           > 40 8E 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002426E1D59F0, 16 bytes long.
 Data: < &#142; nB           > 18 8E 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002426E1D2040, 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 0x000002426E1D5CC0, 16 bytes long.
 Data: <&#240;  nB           > F0 8D 1C 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002426E1C8DF0, 320 bytes long.
 Data: <&#192;\ nB   @  nB   > C0 5C 1D 6E 42 02 00 00 40 20 1D 6E 42 02 00 00 
{268} normal block at 0x000002426E1D58B0, 16 bytes long.
 Data: <@b nB           > 40 62 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002426E1D59A0, 16 bytes long.
 Data: < b nB           > 18 62 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002426E1D1CE0, 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 0x000002426E1D55E0, 16 bytes long.
 Data: <&#240;a nB           > F0 61 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002426E1D1B00, 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 0x000002426E1D5860, 16 bytes long.
 Data: <8a nB           > 38 61 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002426E1D5270, 16 bytes long.
 Data: < a nB           > 10 61 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002426E1D5680, 16 bytes long.
 Data: <&#232;` nB           > E8 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002426E1D5590, 16 bytes long.
 Data: <&#192;` nB           > C0 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002426E1D5B80, 16 bytes long.
 Data: < ` nB           > 98 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002426E1D5720, 16 bytes long.
 Data: <p` nB           > 70 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002426E1D5540, 16 bytes long.
 Data: <&#240;&#203; nB           > F0 CB 1B 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002426E1BCBF0, 40 bytes long.
 Data: <@U nB    a&#247;oB   > 40 55 1D 6E 42 02 00 00 10 61 F7 6F 42 02 00 00 
{254} normal block at 0x000002426E1D5B30, 16 bytes long.
 Data: <P` nB           > 50 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002426E1D5E50, 16 bytes long.
 Data: <(` nB           > 28 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002426E1D26A0, 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 0x000002426E1D5770, 16 bytes long.
 Data: < ` nB           > 00 60 1D 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002426E1D6000, 992 bytes long.
 Data: <pW nB   &#160;& nB   > 70 57 1D 6E 42 02 00 00 A0 26 1D 6E 42 02 00 00 
{86} normal block at 0x000002426E1D2520, 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 0x000002426E1CD8D0, 16 bytes long.
 Data: < &#221; nB           > 10 DD 1B 6E 42 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002426E1BDD10, 40 bytes long.
 Data: <&#208;&#216; nB    % nB   > D0 D8 1C 6E 42 02 00 00 20 25 1D 6E 42 02 00 00 
{63} normal block at 0x000002426E1CD560, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002426E1CDDD0, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002426E1CD880, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002426E1CDD30, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002426E1CDBA0, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002426E1CD3D0, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002426E1CDAB0, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002426E1CD7E0, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002426E1CDA10, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002426E1CD6A0, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra