Task 38685763

Name test_379-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6691_0
Workunit 31627221
Created 27 Oct 2026, 22:48:08 UTC
Sent 27 Oct 2026, 22:48:08 UTC
Report deadline 1 Nov 2026, 22:48:08 UTC
Received 28 Oct 2026, 0:35:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 54 sec
CPU time 34 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.56 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:51:21 (15900): wrapper (7.9.26016): starting
19:51:21 (15900): 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
19:51:22 (15900): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:51:22 (15900): 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\7\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\7\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
20:25:49 (15900): C:/Windows/system32/cmd.exe exited; CPU time 2045.578125
20:25:49 (15900): 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: 35544405 bytes.
Dumping objects ->
{3835185} normal block at 0x000002C974944B90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000002C974944B20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000002C974944810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000002C974944880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000002C974944DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000002C976678080, 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) : {3835097} normal block at 0x000002C9749404D0, 8 bytes long.
 Data: <  Qv&#201;   > 00 00 51 76 C9 02 00 00 
{3833953} normal block at 0x000002C974940A20, 8 bytes long.
 Data: <&#160;&#168;&#150;t&#201;   > A0 A8 96 74 C9 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002C97493EF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C9749356C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002C974945DB0, 16 bytes long.
 Data: < f&#148;t&#201;           > 98 66 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C974945B80, 16 bytes long.
 Data: <pf&#148;t&#201;           > 70 66 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C97493FD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002C9749453B0, 16 bytes long.
 Data: <Hf&#148;t&#201;           > 48 66 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C974945AE0, 16 bytes long.
 Data: < f&#148;t&#201;           > 20 66 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C974945EA0, 16 bytes long.
 Data: <&#248;e&#148;t&#201;           > F8 65 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C974945810, 16 bytes long.
 Data: <&#208;e&#148;t&#201;           > D0 65 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C974944A40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002C974945950, 16 bytes long.
 Data: <&#216;&#226;&#147;t&#201;           > D8 E2 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C97493F550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002C974945BD0, 16 bytes long.
 Data: <&#176;&#226;&#147;t&#201;           > B0 E2 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C974945FE0, 16 bytes long.
 Data: < &#226;&#147;t&#201;           > 88 E2 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C974945540, 16 bytes long.
 Data: <`&#226;&#147;t&#201;           > 60 E2 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C974945D60, 16 bytes long.
 Data: <8&#226;&#147;t&#201;           > 38 E2 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C974945D10, 16 bytes long.
 Data: < &#226;&#147;t&#201;           > 10 E2 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C974945680, 16 bytes long.
 Data: <&#232;&#225;&#147;t&#201;           > E8 E1 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C97493F6D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002C974945CC0, 16 bytes long.
 Data: <&#192;&#225;&#147;t&#201;           > C0 E1 93 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C97493E1C0, 320 bytes long.
 Data: <&#192;\&#148;t&#201;   &#208;&#246;&#147;t&#201;   > C0 5C 94 74 C9 02 00 00 D0 F6 93 74 C9 02 00 00 
{272} normal block at 0x000002C974945E50, 16 bytes long.
 Data: <&#176;e&#148;t&#201;           > B0 65 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C974945400, 16 bytes long.
 Data: < e&#148;t&#201;           > 88 65 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C9749400F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002C974945630, 16 bytes long.
 Data: <`e&#148;t&#201;           > 60 65 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C97493F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002C974945F40, 16 bytes long.
 Data: <&#168;d&#148;t&#201;           > A8 64 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C974945E00, 16 bytes long.
 Data: < d&#148;t&#201;           > 80 64 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C974946300, 16 bytes long.
 Data: <Xd&#148;t&#201;           > 58 64 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C9749456D0, 16 bytes long.
 Data: <0d&#148;t&#201;           > 30 64 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C974945EF0, 16 bytes long.
 Data: < d&#148;t&#201;           > 08 64 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C974945900, 16 bytes long.
 Data: <&#224;c&#148;t&#201;           > E0 63 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C9749462B0, 16 bytes long.
 Data: < L&#148;t&#201;           > 00 4C 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C974944C00, 40 bytes long.
 Data: <&#176;b&#148;t&#201;     gv&#201;   > B0 62 94 74 C9 02 00 00 80 80 67 76 C9 02 00 00 
{258} normal block at 0x000002C9749454A0, 16 bytes long.
 Data: <&#192;c&#148;t&#201;           > C0 63 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C9749461C0, 16 bytes long.
 Data: < c&#148;t&#201;           > 98 63 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C97493FFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002C974945C20, 16 bytes long.
 Data: <pc&#148;t&#201;           > 70 63 94 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002C974946370, 992 bytes long.
 Data: < \&#148;t&#201;   &#208;&#255;&#147;t&#201;   > 20 5C 94 74 C9 02 00 00 D0 FF 93 74 C9 02 00 00 
{90} normal block at 0x000002C97493FA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002C974940BB0, 16 bytes long.
 Data: < &#238;&#146;t&#201;           > 10 EE 92 74 C9 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002C97492EE10, 40 bytes long.
 Data: <&#176; &#148;t&#201;   0&#250;&#147;t&#201;   > B0 0B 94 74 C9 02 00 00 30 FA 93 74 C9 02 00 00 
{67} normal block at 0x000002C974940DE0, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C974940CA0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C9749403E0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C974940D40, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C974940570, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C974940980, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C974940B60, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C974940F20, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C974940A70, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002C974941240, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra