Task 38687819

Name test_949-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8305_0
Workunit 31629196
Created 28 Oct 2026, 9:58:49 UTC
Sent 28 Oct 2026, 9:58:56 UTC
Report deadline 2 Nov 2026, 9:58:56 UTC
Received 28 Oct 2026, 17:10:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 21 sec
CPU time 1 hours 42 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 646.73 MB
Peak swap size 6.71 GB
Peak disk usage 3.41 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:25:40 (13496): wrapper (7.9.26016): starting
11:25:41 (13496): 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
11:25:43 (13496): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:25:43 (13496): 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\9\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\9\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
13:10:24 (13496): C:/Windows/system32/cmd.exe exited; CPU time 6136.250000
13:10:24 (13496): 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: 78240137 bytes.
Dumping objects ->
{3835209} normal block at 0x00000290464267A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000029046425EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000029046426490, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x0000029046426420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000029046426110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x000002904800B9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x000002904806E130, 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) : {3835120} normal block at 0x00000290463F5DB0, 8 bytes long.
 Data: <  &#222;G    > 00 00 DE 47 90 02 00 00 
{3834523} normal block at 0x000002904806D370, 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 0x00000290463F59A0, 8 bytes long.
 Data: <   H    > 10 04 03 48 90 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000029046401AE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000290463FB280, 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 0x0000029046403700, 16 bytes long.
 Data: < =@F            > 18 3D 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029046403520, 16 bytes long.
 Data: <&#240;<@F            > F0 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000290463FB8C0, 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 0x00000290464037F0, 16 bytes long.
 Data: <&#200;<@F            > C8 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000290464038E0, 16 bytes long.
 Data: <&#160;<@F            > A0 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000290464036B0, 16 bytes long.
 Data: <x<@F            > 78 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000290464032F0, 16 bytes long.
 Data: <P<@F            > 50 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000290463FA280, 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 0x00000290464032A0, 16 bytes long.
 Data: < &#178;?F            > 18 B2 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000290463FBEC0, 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 0x0000029046403340, 16 bytes long.
 Data: <&#240;&#177;?F            > F0 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000290464035C0, 16 bytes long.
 Data: <&#200;&#177;?F            > C8 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029046403020, 16 bytes long.
 Data: <&#160;&#177;?F            > A0 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029046403390, 16 bytes long.
 Data: <x&#177;?F            > 78 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029046403160, 16 bytes long.
 Data: <P&#177;?F            > 50 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029046402AD0, 16 bytes long.
 Data: <(&#177;?F            > 28 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000290463FC280, 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 0x0000029046402A80, 16 bytes long.
 Data: < &#177;?F            > 00 B1 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000290463FB100, 320 bytes long.
 Data: < *@F     &#194;?F    > 80 2A 40 46 90 02 00 00 80 C2 3F 46 90 02 00 00 
{268} normal block at 0x0000029046402F80, 16 bytes long.
 Data: <0<@F            > 30 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000290464033E0, 16 bytes long.
 Data: < <@F            > 08 3C 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000290463FBAA0, 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 0x0000029046403200, 16 bytes long.
 Data: <&#224;;@F            > E0 3B 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000290463FB7A0, 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 0x00000290464031B0, 16 bytes long.
 Data: <(;@F            > 28 3B 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029046402D50, 16 bytes long.
 Data: < ;@F            > 00 3B 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000290464037A0, 16 bytes long.
 Data: <&#216;:@F            > D8 3A 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029046402A30, 16 bytes long.
 Data: <&#176;:@F            > B0 3A 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029046402D00, 16 bytes long.
 Data: < :@F            > 88 3A 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029046403660, 16 bytes long.
 Data: <`:@F            > 60 3A 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029046403250, 16 bytes long.
 Data: < &#162;?F            > 10 A2 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000290463FA210, 40 bytes long.
 Data: <P2@F    &#160;&#185; H    > 50 32 40 46 90 02 00 00 A0 B9 00 48 90 02 00 00 
{254} normal block at 0x00000290464034D0, 16 bytes long.
 Data: <@:@F            > 40 3A 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000029046403610, 16 bytes long.
 Data: < :@F            > 18 3A 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000290463FB4A0, 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 0x0000029046403070, 16 bytes long.
 Data: <&#240;9@F            > F0 39 40 46 90 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000290464039F0, 992 bytes long.
 Data: <p0@F    &#160;&#180;?F    > 70 30 40 46 90 02 00 00 A0 B4 3F 46 90 02 00 00 
{86} normal block at 0x00000290463FB740, 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 0x00000290463F5900, 16 bytes long.
 Data: <&#176;&#164;?F            > B0 A4 3F 46 90 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000290463FA4B0, 40 bytes long.
 Data: < Y?F    @&#183;?F    > 00 59 3F 46 90 02 00 00 40 B7 3F 46 90 02 00 00 
{63} normal block at 0x00000290463F5E50, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000290463F5720, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000290463F5EA0, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000290463F5810, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000290463F6080, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000290463F5680, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000290463F5770, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000290463F5CC0, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000290463F57C0, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000290463F6210, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra