Task 38684962

Name test_417-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8144_0
Workunit 31626460
Created 27 Oct 2026, 18:46:48 UTC
Sent 27 Oct 2026, 18:46:51 UTC
Report deadline 1 Nov 2026, 18:46:51 UTC
Received 27 Oct 2026, 19:18:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 25 min 10 sec
CPU time 23 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.19 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:52:31 (15940): wrapper (7.9.26016): starting
19:52:31 (15940): 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
19:52:32 (15940): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:52:32 (15940): 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\1\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\1\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
20:17:02 (15940): C:/Windows/system32/cmd.exe exited; CPU time 1420.859375
20:17:02 (15940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 21178772 bytes.
Dumping objects ->
{3835554} normal block at 0x000001FA27CC88F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x000001FA260A45C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001FA260A49B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x000001FA260A4B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000001FA260A48D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x000001FA27CD6880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001FA2608E5A0, 83 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) : {3835465} normal block at 0x000001FA2609EA70, 8 bytes long.
 Data: <   &&#250;   > 00 00 04 26 FA 01 00 00 
{3834684} normal block at 0x000001FA2608E7E0, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001FA2609F1F0, 8 bytes long.
 Data: < &#217; &&#250;   > 00 D9 08 26 FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FA260A0F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FA2608F050, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001FA260A5D60, 16 bytes long.
 Data: <&#184;d &&#250;           > B8 64 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FA260A5E00, 16 bytes long.
 Data: < d &&#250;           > 90 64 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FA260A0210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001FA260A5810, 16 bytes long.
 Data: <hd &&#250;           > 68 64 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FA260A58B0, 16 bytes long.
 Data: <@d &&#250;           > 40 64 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FA260A5C70, 16 bytes long.
 Data: < d &&#250;           > 18 64 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FA260A5AE0, 16 bytes long.
 Data: <&#240;c &&#250;           > F0 63 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA260A4B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001FA260A5BD0, 16 bytes long.
 Data: <&#232;&#245; &&#250;           > E8 F5 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA260A0570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001FA260A5630, 16 bytes long.
 Data: <&#192;&#245; &&#250;           > C0 F5 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FA260A5DB0, 16 bytes long.
 Data: < &#245; &&#250;           > 98 F5 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FA260A5C20, 16 bytes long.
 Data: <p&#245; &&#250;           > 70 F5 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA260A5540, 16 bytes long.
 Data: <H&#245; &&#250;           > 48 F5 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FA260A6030, 16 bytes long.
 Data: < &#245; &&#250;           > 20 F5 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FA260A5310, 16 bytes long.
 Data: <&#248;&#244; &&#250;           > F8 F4 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA2609F670, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001FA260A54F0, 16 bytes long.
 Data: <&#208;&#244; &&#250;           > D0 F4 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA2608F4D0, 320 bytes long.
 Data: <&#240;T &&#250;   p&#246;	&&#250;   > F0 54 0A 26 FA 01 00 00 70 F6 09 26 FA 01 00 00 
{274} normal block at 0x000001FA260A51D0, 16 bytes long.
 Data: <&#208;c &&#250;           > D0 63 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FA260A5950, 16 bytes long.
 Data: <&#168;c &&#250;           > A8 63 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FA2609F970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001FA260A6120, 16 bytes long.
 Data: < c &&#250;           > 80 63 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA260A0510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001FA260A54A0, 16 bytes long.
 Data: <&#200;b &&#250;           > C8 62 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA260A5770, 16 bytes long.
 Data: <&#160;b &&#250;           > A0 62 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FA260A56D0, 16 bytes long.
 Data: <xb &&#250;           > 78 62 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FA260A5B30, 16 bytes long.
 Data: <Pb &&#250;           > 50 62 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA260A5A90, 16 bytes long.
 Data: <(b &&#250;           > 28 62 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FA260A5270, 16 bytes long.
 Data: < b &&#250;           > 00 62 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FA260A5EF0, 16 bytes long.
 Data: <@I &&#250;           > 40 49 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FA260A4940, 40 bytes long.
 Data: <&#240;^ &&#250;    h&#205;'&#250;   > F0 5E 0A 26 FA 01 00 00 80 68 CD 27 FA 01 00 00 
{260} normal block at 0x000001FA260A5F40, 16 bytes long.
 Data: <&#224;a &&#250;           > E0 61 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FA260A5360, 16 bytes long.
 Data: <&#184;a &&#250;           > B8 61 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FA260A02D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001FA260A5450, 16 bytes long.
 Data: < a &&#250;           > 90 61 0A 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FA260A6190, 992 bytes long.
 Data: <PT &&#250;   &#208;  &&#250;   > 50 54 0A 26 FA 01 00 00 D0 02 0A 26 FA 01 00 00 
{92} normal block at 0x000001FA2609F790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001FA2609EB10, 16 bytes long.
 Data: < &#194; &&#250;           > 90 C2 08 26 FA 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001FA2608C290, 40 bytes long.
 Data: < &#235;	&&#250;    &#247;	&&#250;   > 10 EB 09 26 FA 01 00 00 90 F7 09 26 FA 01 00 00 
{69} normal block at 0x000001FA2609EA20, 16 bytes long.
 Data: < &#234;&#253;C&#247;           > 80 EA FD 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FA2609F150, 16 bytes long.
 Data: <@&#233;&#253;C&#247;           > 40 E9 FD 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FA2609EFC0, 16 bytes long.
 Data: <&#248;W&#250;C&#247;           > F8 57 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FA2609E9D0, 16 bytes long.
 Data: <&#216;W&#250;C&#247;           > D8 57 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FA2609EB60, 16 bytes long.
 Data: <P &#250;C&#247;           > 50 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FA2609E930, 16 bytes long.
 Data: <0 &#250;C&#247;           > 30 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA2609EBB0, 16 bytes long.
 Data: <&#224; &#250;C&#247;           > E0 02 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA2609ED90, 16 bytes long.
 Data: <  &#250;C&#247;           > 10 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FA2609F2E0, 16 bytes long.
 Data: <p &#250;C&#247;           > 70 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FA2609E7A0, 16 bytes long.
 Data: < &#192;&#248;C&#247;           > 18 C0 F8 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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