Task 38683229

Name test_799-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4048_1
Workunit 31624033
Created 27 Oct 2026, 10:59:44 UTC
Sent 27 Oct 2026, 10:59:50 UTC
Report deadline 1 Nov 2026, 10:59:50 UTC
Received 27 Oct 2026, 11:35:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 34 min 26 sec
CPU time 31 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.66 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:01:44 (16668): wrapper (7.9.26016): starting
12:01:44 (16668): 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
12:01:45 (16668): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:01:45 (16668): 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 'D:\BoincData\slots\2\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 'D:\BoincData\slots\2\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
12:34:34 (16668): C:/Windows/system32/cmd.exe exited; CPU time 1885.281250
12:34:34 (16668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 27644975 bytes.
Dumping objects ->
{3835268} normal block at 0x000002459D340920, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x000002459D4840F0, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x000002459D484990, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x000002459D485890, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x000002459D4847B0, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x000002459D3416B0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x000002459D44D1F0, 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) : {3835179} normal block at 0x000002459B936CB0, 8 bytes long.
 Data: <  &#145;&#155;E   > 00 00 91 9B 45 02 00 00 
{3834558} normal block at 0x000002459D44D4B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002459B9372A0, 8 bytes long.
 Data: <&#176;'< E   > B0 27 3C 9D 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002459B941400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002459B925EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002459B942C10, 16 bytes long.
 Data: <&#248;8&#148;&#155;E           > F8 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002459B943110, 16 bytes long.
 Data: <&#208;8&#148;&#155;E           > D0 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002459B93D0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002459B9426C0, 16 bytes long.
 Data: <&#168;8&#148;&#155;E           > A8 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002459B942670, 16 bytes long.
 Data: < 8&#148;&#155;E           > 80 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002459B942E90, 16 bytes long.
 Data: <X8&#148;&#155;E           > 58 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002459B942E40, 16 bytes long.
 Data: <08&#148;&#155;E           > 30 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002459B93B5B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002459B942D00, 16 bytes long.
 Data: <X^&#146;&#155;E           > 58 5E 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002459B93DAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002459B9430C0, 16 bytes long.
 Data: <0^&#146;&#155;E           > 30 5E 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002459B942BC0, 16 bytes long.
 Data: < ^&#146;&#155;E           > 08 5E 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002459B942B70, 16 bytes long.
 Data: <&#224;]&#146;&#155;E           > E0 5D 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002459B943160, 16 bytes long.
 Data: <&#184;]&#146;&#155;E           > B8 5D 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002459B942800, 16 bytes long.
 Data: < ]&#146;&#155;E           > 90 5D 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002459B942620, 16 bytes long.
 Data: <h]&#146;&#155;E           > 68 5D 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002459B93CFD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002459B942260, 16 bytes long.
 Data: <@]&#146;&#155;E           > 40 5D 92 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002459B925D40, 320 bytes long.
 Data: <`"&#148;&#155;E   &#208;&#207;&#147;&#155;E   > 60 22 94 9B 45 02 00 00 D0 CF 93 9B 45 02 00 00 
{271} normal block at 0x000002459B942300, 16 bytes long.
 Data: < 8&#148;&#155;E           > 10 38 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002459B942850, 16 bytes long.
 Data: <&#232;7&#148;&#155;E           > E8 37 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002459B93DBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002459B942DF0, 16 bytes long.
 Data: <&#192;7&#148;&#155;E           > C0 37 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002459B93CD90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002459B942D50, 16 bytes long.
 Data: < 7&#148;&#155;E           > 08 37 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002459B942490, 16 bytes long.
 Data: <&#224;6&#148;&#155;E           > E0 36 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002459B942B20, 16 bytes long.
 Data: <&#184;6&#148;&#155;E           > B8 36 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002459B942440, 16 bytes long.
 Data: < 6&#148;&#155;E           > 90 36 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002459B9425D0, 16 bytes long.
 Data: <h6&#148;&#155;E           > 68 36 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002459B9427B0, 16 bytes long.
 Data: <@6&#148;&#155;E           > 40 36 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002459B942580, 16 bytes long.
 Data: <&#224;&#183;&#147;&#155;E           > E0 B7 93 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002459B93B7E0, 40 bytes long.
 Data: < %&#148;&#155;E   &#176; 4 E   > 80 25 94 9B 45 02 00 00 B0 16 34 9D 45 02 00 00 
{257} normal block at 0x000002459B943020, 16 bytes long.
 Data: < 6&#148;&#155;E           > 20 36 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002459B942210, 16 bytes long.
 Data: <&#248;5&#148;&#155;E           > F8 35 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002459B93D9F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002459B942350, 16 bytes long.
 Data: <&#208;5&#148;&#155;E           > D0 35 94 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002459B9435D0, 992 bytes long.
 Data: <P#&#148;&#155;E   &#240;&#217;&#147;&#155;E   > 50 23 94 9B 45 02 00 00 F0 D9 93 9B 45 02 00 00 
{89} normal block at 0x000002459B93D090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002459B936A30, 16 bytes long.
 Data: <&#160;&#185;&#147;&#155;E           > A0 B9 93 9B 45 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002459B93B9A0, 40 bytes long.
 Data: <0j&#147;&#155;E    &#208;&#147;&#155;E   > 30 6A 93 9B 45 02 00 00 90 D0 93 9B 45 02 00 00 
{66} normal block at 0x000002459B936C10, 16 bytes long.
 Data: < &#234;x&#235;&#246;           > 80 EA 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002459B936670, 16 bytes long.
 Data: <@&#233;x&#235;&#246;           > 40 E9 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002459B937070, 16 bytes long.
 Data: <&#248;Wu&#235;&#246;           > F8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002459B936DA0, 16 bytes long.
 Data: <&#216;Wu&#235;&#246;           > D8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002459B9371B0, 16 bytes long.
 Data: <P u&#235;&#246;           > 50 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002459B9368A0, 16 bytes long.
 Data: <0 u&#235;&#246;           > 30 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002459B937250, 16 bytes long.
 Data: <&#224; u&#235;&#246;           > E0 02 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002459B937390, 16 bytes long.
 Data: <  u&#235;&#246;           > 10 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002459B936C60, 16 bytes long.
 Data: <p u&#235;&#246;           > 70 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002459B936710, 16 bytes long.
 Data: < &#192;s&#235;&#246;           > 18 C0 73 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra