Task 38679762

Name test_14-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4642_0
Workunit 31621525
Created 26 Oct 2026, 21:40:46 UTC
Sent 26 Oct 2026, 21:40:51 UTC
Report deadline 31 Oct 2026, 21:40:51 UTC
Received 27 Oct 2026, 0:55:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 57 min 53 sec
CPU time 49 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.58 MB
Peak swap size 2.24 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:53:11 (13992): wrapper (7.9.26016): starting
02:53:11 (13992): 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
02:53:14 (13992): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:53:14 (13992): 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:\BOINC\slots\4\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:\BOINC\slots\4\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
03:48:31 (13992): C:/Windows/system32/cmd.exe exited; CPU time 2965.140625
03:48:31 (13992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 41723093 bytes.
Dumping objects ->
{3835529} normal block at 0x000001D8FC8E0EE0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000001D8FE4E3F20, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000001D8FE4E4D00, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000001D8FE4E4100, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000001D8FE4E4640, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000001D8FC8E0E70, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000001D8FC8D98B0, 200 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) : {3835440} normal block at 0x000001D8FC8D6D50, 8 bytes long.
 Data: <  [&#254;&#216;   > 00 00 5B FE D8 01 00 00 
{3834685} normal block at 0x000001D8FC8D9F10, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001D8FC8D7200, 8 bytes long.
 Data: <P&#162;9&#254;&#216;   > 50 A2 39 FE D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001D8FC8E1770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D8FC8C5F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001D8FC8E2580, 16 bytes long.
 Data: < :&#142;&#252;&#216;           > 18 3A 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D8FC8E3110, 16 bytes long.
 Data: <&#240;9&#142;&#252;&#216;           > F0 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D8FC8DD140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001D8FC8E2800, 16 bytes long.
 Data: <&#200;9&#142;&#252;&#216;           > C8 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D8FC8E2DA0, 16 bytes long.
 Data: <&#160;9&#142;&#252;&#216;           > A0 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D8FC8E2D50, 16 bytes long.
 Data: <x9&#142;&#252;&#216;           > 78 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D8FC8E2A30, 16 bytes long.
 Data: <P9&#142;&#252;&#216;           > 50 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D8FC8E0C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001D8FC8E2C60, 16 bytes long.
 Data: <&#184;^&#140;&#252;&#216;           > B8 5E 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D8FC8DCDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001D8FC8E3250, 16 bytes long.
 Data: <&#144;^&#140;&#252;&#216;           > 90 5E 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D8FC8E3340, 16 bytes long.
 Data: <h^&#140;&#252;&#216;           > 68 5E 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D8FC8E2B70, 16 bytes long.
 Data: <@^&#140;&#252;&#216;           > 40 5E 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D8FC8E2C10, 16 bytes long.
 Data: < ^&#140;&#252;&#216;           > 18 5E 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D8FC8E3020, 16 bytes long.
 Data: <&#240;]&#140;&#252;&#216;           > F0 5D 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D8FC8E3160, 16 bytes long.
 Data: <&#200;]&#140;&#252;&#216;           > C8 5D 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D8FC8DCF60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001D8FC8E3480, 16 bytes long.
 Data: <&#160;]&#140;&#252;&#216;           > A0 5D 8C FC D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D8FC8C5DA0, 320 bytes long.
 Data: <&#128;4&#142;&#252;&#216;   `&#207;&#141;&#252;&#216;   > 80 34 8E FC D8 01 00 00 60 CF 8D FC D8 01 00 00 
{267} normal block at 0x000001D8FC8E2D00, 16 bytes long.
 Data: <09&#142;&#252;&#216;           > 30 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D8FC8E26C0, 16 bytes long.
 Data: < 9&#142;&#252;&#216;           > 08 39 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D8FC8DD0E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001D8FC8E2E90, 16 bytes long.
 Data: <&#224;8&#142;&#252;&#216;           > E0 38 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D8FC8DD380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001D8FC8E32F0, 16 bytes long.
 Data: <(8&#142;&#252;&#216;           > 28 38 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D8FC8E28A0, 16 bytes long.
 Data: < 8&#142;&#252;&#216;           > 00 38 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D8FC8E30C0, 16 bytes long.
 Data: <&#216;7&#142;&#252;&#216;           > D8 37 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D8FC8E2CB0, 16 bytes long.
 Data: <&#176;7&#142;&#252;&#216;           > B0 37 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D8FC8E32A0, 16 bytes long.
 Data: < 7&#142;&#252;&#216;           > 88 37 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D8FC8E2BC0, 16 bytes long.
 Data: <`7&#142;&#252;&#216;           > 60 37 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D8FC8E29E0, 16 bytes long.
 Data: <0 &#142;&#252;&#216;           > 30 10 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D8FC8E1030, 40 bytes long.
 Data: <&#224;)&#142;&#252;&#216;   p &#142;&#252;&#216;   > E0 29 8E FC D8 01 00 00 70 0E 8E FC D8 01 00 00 
{253} normal block at 0x000001D8FC8E2AD0, 16 bytes long.
 Data: <@7&#142;&#252;&#216;           > 40 37 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D8FC8E2670, 16 bytes long.
 Data: < 7&#142;&#252;&#216;           > 18 37 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D8FC8DD1A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001D8FC8E2760, 16 bytes long.
 Data: <&#240;6&#142;&#252;&#216;           > F0 36 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001D8FC8E36F0, 992 bytes long.
 Data: <`'&#142;&#252;&#216;   &#160;&#209;&#141;&#252;&#216;   > 60 27 8E FC D8 01 00 00 A0 D1 8D FC D8 01 00 00 
{85} normal block at 0x000001D8FC8DDC80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001D8FC8D6C10, 16 bytes long.
 Data: <&#240; &#142;&#252;&#216;           > F0 0A 8E FC D8 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001D8FC8E0AF0, 40 bytes long.
 Data: < l&#141;&#252;&#216;   &#128;&#220;&#141;&#252;&#216;   > 10 6C 8D FC D8 01 00 00 80 DC 8D FC D8 01 00 00 
{62} normal block at 0x000001D8FC8D6940, 16 bytes long.
 Data: <&#128;&#234;8&#145;&#246;           > 80 EA 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D8FC8D6620, 16 bytes long.
 Data: <@&#233;8&#145;&#246;           > 40 E9 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D8FC8D6F80, 16 bytes long.
 Data: <&#248;W5&#145;&#246;           > F8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D8FC8D6B20, 16 bytes long.
 Data: <&#216;W5&#145;&#246;           > D8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D8FC8D6D00, 16 bytes long.
 Data: <P 5&#145;&#246;           > 50 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D8FC8D68F0, 16 bytes long.
 Data: <0 5&#145;&#246;           > 30 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D8FC8D7020, 16 bytes long.
 Data: <&#224; 5&#145;&#246;           > E0 02 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D8FC8D66C0, 16 bytes long.
 Data: <  5&#145;&#246;           > 10 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001D8FC8D6BC0, 16 bytes long.
 Data: <p 5&#145;&#246;           > 70 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001D8FC8D67B0, 16 bytes long.
 Data: < &#192;3&#145;&#246;           > 18 C0 33 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra