Task 38682951

Name test_784-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7987_0
Workunit 31624542
Created 27 Oct 2026, 9:48:51 UTC
Sent 27 Oct 2026, 9:48:57 UTC
Report deadline 1 Nov 2026, 9:48:57 UTC
Received 27 Oct 2026, 10:40:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 39 sec
CPU time 46 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.10 MB
Peak swap size 9.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:51:18 (10364): wrapper (7.9.26016): starting
10:51:18 (10364): 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
10:51:19 (10364): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:51:19 (10364): 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\22\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\22\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
11:38:55 (10364): C:/Windows/system32/cmd.exe exited; CPU time 2799.718750
11:38:55 (10364): 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: 47908943 bytes.
Dumping objects ->
{3835363} normal block at 0x00000208532C0AC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x00000208532C12A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x0000020851565790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x0000020851565640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x0000020851565250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x0000020853337EF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000002085334EEA0, 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) : {3835274} normal block at 0x0000020851560650, 8 bytes long.
 Data: <  PQ    > 00 00 50 51 08 02 00 00 
{3834606} normal block at 0x000002085334F420, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000208515609C0, 8 bytes long.
 Data: <&#160;&#184;XQ    > A0 B8 58 51 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020851550240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002085154F060, 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 0x0000020851566A20, 16 bytes long.
 Data: <&#184;mVQ            > B8 6D 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020851565FD0, 16 bytes long.
 Data: < mVQ            > 90 6D 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020851561650, 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 0x0000020851566020, 16 bytes long.
 Data: <hmVQ            > 68 6D 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020851565EE0, 16 bytes long.
 Data: <@mVQ            > 40 6D 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020851566200, 16 bytes long.
 Data: < mVQ            > 18 6D 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020851566480, 16 bytes long.
 Data: <&#240;lVQ            > F0 6C 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020851565330, 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 0x0000020851566700, 16 bytes long.
 Data: <x UQ            > 78 0E 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000208515616B0, 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 0x0000020851566430, 16 bytes long.
 Data: <P UQ            > 50 0E 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020851565E40, 16 bytes long.
 Data: <( UQ            > 28 0E 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020851565CB0, 16 bytes long.
 Data: <  UQ            > 00 0E 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020851566610, 16 bytes long.
 Data: <&#216; UQ            > D8 0D 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020851565C60, 16 bytes long.
 Data: <&#176; UQ            > B0 0D 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020851565C10, 16 bytes long.
 Data: <  UQ            > 88 0D 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020851560FF0, 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 0x0000020851565BC0, 16 bytes long.
 Data: <` UQ            > 60 0D 55 51 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020851550D60, 320 bytes long.
 Data: <&#192;[VQ    &#240; VQ    > C0 5B 56 51 08 02 00 00 F0 0F 56 51 08 02 00 00 
{278} normal block at 0x00000208515660C0, 16 bytes long.
 Data: <&#208;lVQ            > D0 6C 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020851565D50, 16 bytes long.
 Data: <&#168;lVQ            > A8 6C 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020851561830, 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 0x0000020851566750, 16 bytes long.
 Data: < lVQ            > 80 6C 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020851561A10, 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 0x0000020851566390, 16 bytes long.
 Data: <&#200;kVQ            > C8 6B 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000208515661B0, 16 bytes long.
 Data: <&#160;kVQ            > A0 6B 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020851565F80, 16 bytes long.
 Data: <xkVQ            > 78 6B 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000208515665C0, 16 bytes long.
 Data: <PkVQ            > 50 6B 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020851566250, 16 bytes long.
 Data: <(kVQ            > 28 6B 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020851565B70, 16 bytes long.
 Data: < kVQ            > 00 6B 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020851565DF0, 16 bytes long.
 Data: <`UVQ            > 60 55 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020851565560, 40 bytes long.
 Data: <&#240;]VQ    &#240;~3S    > F0 5D 56 51 08 02 00 00 F0 7E 33 53 08 02 00 00 
{264} normal block at 0x0000020851565D00, 16 bytes long.
 Data: <&#224;jVQ            > E0 6A 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020851565DA0, 16 bytes long.
 Data: <&#184;jVQ            > B8 6A 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000208515612F0, 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 0x0000020851566340, 16 bytes long.
 Data: < jVQ            > 90 6A 56 51 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020851566A90, 992 bytes long.
 Data: <@cVQ    &#240; VQ    > 40 63 56 51 08 02 00 00 F0 12 56 51 08 02 00 00 
{96} normal block at 0x0000020851561170, 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 0x0000020851560740, 16 bytes long.
 Data: < &#213;TQ            > 80 D5 54 51 08 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002085154D580, 40 bytes long.
 Data: <@ VQ    p VQ    > 40 07 56 51 08 02 00 00 70 11 56 51 08 02 00 00 
{73} normal block at 0x0000020851560420, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000208515603D0, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020851560B00, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020851560290, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020851560010, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020851560BF0, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020851560380, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000208515602E0, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020851560A60, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000208515606F0, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra