Task 38686778

Name test_799-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4048_0
Workunit 31628191
Created 28 Oct 2026, 4:19:48 UTC
Sent 28 Oct 2026, 4:19:54 UTC
Report deadline 2 Nov 2026, 4:19:54 UTC
Received 28 Oct 2026, 7:28:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 3 min 3 sec
CPU time 58 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.50 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:27:03 (29120): wrapper (7.9.26016): starting
02:27:03 (29120): 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
02:27:05 (29120): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:27:05 (29120): 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\11\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\11\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
03:28:16 (29120): C:/Windows/system32/cmd.exe exited; CPU time 3526.953125
03:28:16 (29120): 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: 75861701 bytes.
Dumping objects ->
{3835525} normal block at 0x0000029FFF347D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000029FFF347330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x0000029FFF347170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x0000029FFF347250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000029FFF3476B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x0000029FFF2ACC10, 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) : {3835437} normal block at 0x0000029FFD55CF10, 8 bytes long.
 Data: <  &#158;&#253;&#159;   > 00 00 9E FD 9F 02 00 00 
{3833969} normal block at 0x0000029FFD55CDD0, 8 bytes long.
 Data: < GV&#253;&#159;   > 00 47 56 FD 9F 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029FFD561170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029FFD555A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000029FFD565370, 16 bytes long.
 Data: <&#168;aV&#253;&#159;           > A8 61 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000029FFD565AA0, 16 bytes long.
 Data: < aV&#253;&#159;           > 80 61 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029FFD55EEA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000029FFD565000, 16 bytes long.
 Data: <XaV&#253;&#159;           > 58 61 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029FFD565550, 16 bytes long.
 Data: <0aV&#253;&#159;           > 30 61 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029FFD564EC0, 16 bytes long.
 Data: < aV&#253;&#159;           > 08 61 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029FFD5658C0, 16 bytes long.
 Data: <&#224;`V&#253;&#159;           > E0 60 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029FFD5636F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000029FFD565230, 16 bytes long.
 Data: < &#246;T&#253;&#159;           > 08 F6 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029FFD55E900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000029FFD565320, 16 bytes long.
 Data: <&#224;&#245;T&#253;&#159;           > E0 F5 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029FFD565BE0, 16 bytes long.
 Data: <&#184;&#245;T&#253;&#159;           > B8 F5 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029FFD565870, 16 bytes long.
 Data: < &#245;T&#253;&#159;           > 90 F5 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029FFD565500, 16 bytes long.
 Data: <h&#245;T&#253;&#159;           > 68 F5 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029FFD565C30, 16 bytes long.
 Data: <@&#245;T&#253;&#159;           > 40 F5 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029FFD5650A0, 16 bytes long.
 Data: < &#245;T&#253;&#159;           > 18 F5 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029FFD55E5A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000029FFD5659B0, 16 bytes long.
 Data: <&#240;&#244;T&#253;&#159;           > F0 F4 54 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029FFD54F4F0, 320 bytes long.
 Data: <&#176;YV&#253;&#159;   &#160;&#229;U&#253;&#159;   > B0 59 56 FD 9F 02 00 00 A0 E5 55 FD 9F 02 00 00 
{280} normal block at 0x0000029FFD565730, 16 bytes long.
 Data: <&#192;`V&#253;&#159;           > C0 60 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029FFD565820, 16 bytes long.
 Data: < `V&#253;&#159;           > 98 60 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029FFD55F200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000029FFD565910, 16 bytes long.
 Data: <p`V&#253;&#159;           > 70 60 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029FFD55ED20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000029FFD564FB0, 16 bytes long.
 Data: <&#184;_V&#253;&#159;           > B8 5F 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029FFD565690, 16 bytes long.
 Data: < _V&#253;&#159;           > 90 5F 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029FFD565B90, 16 bytes long.
 Data: <h_V&#253;&#159;           > 68 5F 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029FFD5654B0, 16 bytes long.
 Data: <@_V&#253;&#159;           > 40 5F 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029FFD5656E0, 16 bytes long.
 Data: < _V&#253;&#159;           > 18 5F 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029FFD565780, 16 bytes long.
 Data: <&#240;^V&#253;&#159;           > F0 5E 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029FFD5655F0, 16 bytes long.
 Data: <&#192;4V&#253;&#159;           > C0 34 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029FFD5634C0, 40 bytes long.
 Data: <&#240;UV&#253;&#159;    &#204;*&#255;&#159;   > F0 55 56 FD 9F 02 00 00 10 CC 2A FF 9F 02 00 00 
{266} normal block at 0x0000029FFD5655A0, 16 bytes long.
 Data: <&#208;^V&#253;&#159;           > D0 5E 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029FFD565DC0, 16 bytes long.
 Data: <&#168;^V&#253;&#159;           > A8 5E 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029FFD55E540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000029FFD565190, 16 bytes long.
 Data: < ^V&#253;&#159;           > 80 5E 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029FFD565E80, 992 bytes long.
 Data: < QV&#253;&#159;   @&#229;U&#253;&#159;   > 90 51 56 FD 9F 02 00 00 40 E5 55 FD 9F 02 00 00 
{98} normal block at 0x0000029FFD55E660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000029FFD55CF60, 16 bytes long.
 Data: <P4V&#253;&#159;           > 50 34 56 FD 9F 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000029FFD563450, 40 bytes long.
 Data: <`&#207;U&#253;&#159;   `&#230;U&#253;&#159;   > 60 CF 55 FD 9F 02 00 00 60 E6 55 FD 9F 02 00 00 
{75} normal block at 0x0000029FFD55D550, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000029FFD55D910, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000029FFD55D5F0, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000029FFD55D140, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029FFD55D8C0, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029FFD55CB00, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029FFD55D870, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029FFD55CBA0, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029FFD55D190, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029FFD55D500, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra