Task 38697695

Name test_10-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6290_0
Workunit 31638252
Created 1 Nov 2026, 19:48:22 UTC
Sent 1 Nov 2026, 19:48:23 UTC
Report deadline 6 Nov 2026, 19:48:23 UTC
Received 1 Nov 2026, 20:25:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654940
Run time 37 min 3 sec
CPU time 34 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.15 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:49:40 (23524): wrapper (7.9.26016): starting
20:49:40 (23524): 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
20:49:42 (23524): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:49:42 (23524): 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\0\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\0\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
21:25:40 (23524): C:/Windows/system32/cmd.exe exited; CPU time 2043.328125
21:25:40 (23524): 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: 49475123 bytes.
Dumping objects ->
{3835270} normal block at 0x0000025A541773A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000025A540A6390, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000025A540A6940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000025A540A6860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000025A540A67F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000025A55EA7D60, 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) : {3835182} normal block at 0x0000025A5409F4E0, 8 bytes long.
 Data: <  VTZ   > 00 00 56 54 5A 02 00 00 
{3833965} normal block at 0x0000025A5409F170, 8 bytes long.
 Data: <0X&#240;UZ   > 30 58 F0 55 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000025A5409FCD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025A54097DE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000025A540A7D70, 16 bytes long.
 Data: <&#168;  TZ           > A8 81 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025A540A7C80, 16 bytes long.
 Data: <   TZ           > 80 81 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025A540A16B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000025A540A7C30, 16 bytes long.
 Data: <X  TZ           > 58 81 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025A540A7730, 16 bytes long.
 Data: <0  TZ           > 30 81 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025A540A7D20, 16 bytes long.
 Data: <   TZ           > 08 81 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025A540A77D0, 16 bytes long.
 Data: <&#224;  TZ           > E0 80 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025A540A66A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000025A540A7B40, 16 bytes long.
 Data: <X&#252; TZ           > 58 FC 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025A540A13B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000025A540A79B0, 16 bytes long.
 Data: <0&#252; TZ           > 30 FC 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025A540A7280, 16 bytes long.
 Data: < &#252; TZ           > 08 FC 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025A540A71E0, 16 bytes long.
 Data: <&#224;&#251; TZ           > E0 FB 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025A540A7960, 16 bytes long.
 Data: <&#184;&#251; TZ           > B8 FB 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025A540A76E0, 16 bytes long.
 Data: < &#251; TZ           > 90 FB 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025A540A73C0, 16 bytes long.
 Data: <h&#251; TZ           > 68 FB 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025A540A19B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000025A540A7000, 16 bytes long.
 Data: <@&#251; TZ           > 40 FB 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025A5408FB40, 320 bytes long.
 Data: < p TZ   &#176;  TZ   > 00 70 0A 54 5A 02 00 00 B0 19 0A 54 5A 02 00 00 
{278} normal block at 0x0000025A540A7B90, 16 bytes long.
 Data: <&#192;  TZ           > C0 80 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025A540A7AA0, 16 bytes long.
 Data: <   TZ           > 98 80 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025A540A0ED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000025A540A7870, 16 bytes long.
 Data: <p  TZ           > 70 80 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025A540A1350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000025A540A7690, 16 bytes long.
 Data: <&#184;  TZ           > B8 7F 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025A540A7460, 16 bytes long.
 Data: <   TZ           > 90 7F 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025A540A7BE0, 16 bytes long.
 Data: <h  TZ           > 68 7F 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025A540A7140, 16 bytes long.
 Data: <@  TZ           > 40 7F 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025A540A7230, 16 bytes long.
 Data: <   TZ           > 18 7F 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025A540A7320, 16 bytes long.
 Data: <&#240;~ TZ           > F0 7E 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025A540A6F10, 16 bytes long.
 Data: <Pe TZ           > 50 65 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025A540A6550, 40 bytes long.
 Data: < o TZ   `}&#234;UZ   > 10 6F 0A 54 5A 02 00 00 60 7D EA 55 5A 02 00 00 
{264} normal block at 0x0000025A540A74B0, 16 bytes long.
 Data: <&#208;~ TZ           > D0 7E 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025A540A72D0, 16 bytes long.
 Data: <&#168;~ TZ           > A8 7E 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025A540A10B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000025A540A7050, 16 bytes long.
 Data: < ~ TZ           > 80 7E 0A 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025A540A7E80, 992 bytes long.
 Data: <Pp TZ   &#176;  TZ   > 50 70 0A 54 5A 02 00 00 B0 10 0A 54 5A 02 00 00 
{96} normal block at 0x0000025A540A17D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000025A5409EE00, 16 bytes long.
 Data: <&#240;&#255; TZ           > F0 FF 08 54 5A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000025A5408FFF0, 40 bytes long.
 Data: < &#238;	TZ   &#208;  TZ   > 00 EE 09 54 5A 02 00 00 D0 17 0A 54 5A 02 00 00 
{73} normal block at 0x0000025A5409F7B0, 16 bytes long.
 Data: < &#234;S&#207;&#247;           > 80 EA 53 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025A5409F210, 16 bytes long.
 Data: <@&#233;S&#207;&#247;           > 40 E9 53 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025A5409F580, 16 bytes long.
 Data: <&#248;WP&#207;&#247;           > F8 57 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025A5409F8F0, 16 bytes long.
 Data: <&#216;WP&#207;&#247;           > D8 57 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025A5409ED60, 16 bytes long.
 Data: <P P&#207;&#247;           > 50 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025A5409F440, 16 bytes long.
 Data: <0 P&#207;&#247;           > 30 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025A5409F1C0, 16 bytes long.
 Data: <&#224; P&#207;&#247;           > E0 02 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025A5409FB20, 16 bytes long.
 Data: <  P&#207;&#247;           > 10 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025A5409F530, 16 bytes long.
 Data: <p P&#207;&#247;           > 70 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025A5409EFE0, 16 bytes long.
 Data: < &#192;N&#207;&#247;           > 18 C0 4E CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra