Task 38646036

Name test_158-GPUGRID_TEST_ATM_1000_20261023-0-1-RND3637_0
Workunit 31590995
Created 23 Oct 2026, 16:22:50 UTC
Sent 23 Oct 2026, 16:49:34 UTC
Report deadline 28 Oct 2026, 16:49:34 UTC
Received 23 Oct 2026, 17:11:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641223
Run time 17 min 58 sec
CPU time 17 min 21 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 40,554.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.48 MB
Peak swap size 6.94 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
09:52:47 (10000): wrapper (7.9.26016): starting
09:52:47 (10000): 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
09:52:49 (10000): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:52:49 (10000): 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
10:10:35 (10000): C:/Windows/system32/cmd.exe exited; CPU time 1041.687500
10:10:35 (10000): 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: 30600559 bytes.
Dumping objects ->
{3836262} normal block at 0x00000169C6772C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836251} normal block at 0x00000169C6772F30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836240} normal block at 0x00000169C6772BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836229} normal block at 0x00000169C4A92F70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836218} normal block at 0x00000169C4A92F00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836187} normal block at 0x00000169C67BAD60, 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) : {3836174} normal block at 0x00000169C4A906E0, 8 bytes long.
 Data: <   &#197;i   > 00 00 0C C5 69 01 00 00 
{3833971} normal block at 0x00000169C4A90730, 8 bytes long.
 Data: < &#225;|&#198;i   > 00 E1 7C C6 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000169C4A88620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000169C4A895D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000169C4A9AFA0, 16 bytes long.
 Data: <&#216;&#179;&#169;&#196;i           > D8 B3 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000169C4A9A820, 16 bytes long.
 Data: <&#176;&#179;&#169;&#196;i           > B0 B3 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000169C4A93C30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000169C4A9AA50, 16 bytes long.
 Data: < &#179;&#169;&#196;i           > 88 B3 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000169C4A9A4B0, 16 bytes long.
 Data: <`&#179;&#169;&#196;i           > 60 B3 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000169C4A9AEB0, 16 bytes long.
 Data: <8&#179;&#169;&#196;i           > 38 B3 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000169C4A9A8C0, 16 bytes long.
 Data: < &#179;&#169;&#196;i           > 10 B3 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000169C4A92AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000169C4A9A870, 16 bytes long.
 Data: <H&#197;&#167;&#196;i           > 48 C5 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000169C4A942F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000169C4A9A7D0, 16 bytes long.
 Data: < &#197;&#167;&#196;i           > 20 C5 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000169C4A9AA00, 16 bytes long.
 Data: <&#248;&#196;&#167;&#196;i           > F8 C4 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000169C4A9AE10, 16 bytes long.
 Data: <&#208;&#196;&#167;&#196;i           > D0 C4 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000169C4A9A190, 16 bytes long.
 Data: <&#168;&#196;&#167;&#196;i           > A8 C4 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000169C4A9A140, 16 bytes long.
 Data: < &#196;&#167;&#196;i           > 80 C4 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000169C4A9AE60, 16 bytes long.
 Data: <X&#196;&#167;&#196;i           > 58 C4 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000169C4A949B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000169C4A9ADC0, 16 bytes long.
 Data: <0&#196;&#167;&#196;i           > 30 C4 A7 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000169C4A7C430, 320 bytes long.
 Data: <&#192;&#173;&#169;&#196;i   &#176;I&#169;&#196;i   > C0 AD A9 C4 69 01 00 00 B0 49 A9 C4 69 01 00 00 
{281} normal block at 0x00000169C4A9AD20, 16 bytes long.
 Data: <&#240;&#178;&#169;&#196;i           > F0 B2 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000169C4A9AAF0, 16 bytes long.
 Data: <&#200;&#178;&#169;&#196;i           > C8 B2 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000169C4A94890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000169C4A9AF50, 16 bytes long.
 Data: <&#160;&#178;&#169;&#196;i           > A0 B2 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000169C4A946B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000169C4A9AF00, 16 bytes long.
 Data: <&#232;&#177;&#169;&#196;i           > E8 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000169C4A9A410, 16 bytes long.
 Data: <&#192;&#177;&#169;&#196;i           > C0 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000169C4A9ACD0, 16 bytes long.
 Data: < &#177;&#169;&#196;i           > 98 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000169C4A9A460, 16 bytes long.
 Data: <p&#177;&#169;&#196;i           > 70 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000169C4A9AC80, 16 bytes long.
 Data: <H&#177;&#169;&#196;i           > 48 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000169C4A9AC30, 16 bytes long.
 Data: < &#177;&#169;&#196;i           > 20 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000169C4A9A690, 16 bytes long.
 Data: <&#224;/&#169;&#196;i           > E0 2F A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000169C4A92FE0, 40 bytes long.
 Data: < &#166;&#169;&#196;i   `&#173;{&#198;i   > 90 A6 A9 C4 69 01 00 00 60 AD 7B C6 69 01 00 00 
{267} normal block at 0x00000169C4A9ABE0, 16 bytes long.
 Data: < &#177;&#169;&#196;i           > 00 B1 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000169C4A9A780, 16 bytes long.
 Data: <&#216;&#176;&#169;&#196;i           > D8 B0 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000169C4A94170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000169C4A9A320, 16 bytes long.
 Data: <&#176;&#176;&#169;&#196;i           > B0 B0 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000169C4A9B0B0, 992 bytes long.
 Data: < &#163;&#169;&#196;i   pA&#169;&#196;i   > 20 A3 A9 C4 69 01 00 00 70 41 A9 C4 69 01 00 00 
{99} normal block at 0x00000169C4A941D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000169C4A909B0, 16 bytes long.
 Data: <P)&#169;&#196;i           > 50 29 A9 C4 69 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000169C4A92950, 40 bytes long.
 Data: <&#176;	&#169;&#196;i   &#208;A&#169;&#196;i   > B0 09 A9 C4 69 01 00 00 D0 41 A9 C4 69 01 00 00 
{76} normal block at 0x00000169C4A91310, 16 bytes long.
 Data: < &#234;&#168; &#246;           > 80 EA A8 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000169C4A91360, 16 bytes long.
 Data: <@&#233;&#168; &#246;           > 40 E9 A8 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000169C4A90910, 16 bytes long.
 Data: <&#248;W&#165; &#246;           > F8 57 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000169C4A90AF0, 16 bytes long.
 Data: <&#216;W&#165; &#246;           > D8 57 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000169C4A91090, 16 bytes long.
 Data: <P &#165; &#246;           > 50 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000169C4A90FF0, 16 bytes long.
 Data: <0 &#165; &#246;           > 30 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000169C4A90A50, 16 bytes long.
 Data: <&#224; &#165; &#246;           > E0 02 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000169C4A90E10, 16 bytes long.
 Data: <  &#165; &#246;           > 10 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000169C4A90BE0, 16 bytes long.
 Data: <p &#165; &#246;           > 70 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000169C4A908C0, 16 bytes long.
 Data: < &#192;&#163; &#246;           > 18 C0 A3 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra