Task 38687225

Name test_83-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0085_0
Workunit 31628619
Created 28 Oct 2026, 6:38:01 UTC
Sent 28 Oct 2026, 6:38:05 UTC
Report deadline 2 Nov 2026, 6:38:05 UTC
Received 28 Oct 2026, 7:41:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 8 sec
CPU time 32 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.03 MB
Peak swap size 8.48 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:07:31 (31756): wrapper (7.9.26016): starting
08:07:31 (31756): 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
08:07:33 (31756): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:07:33 (31756): 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_data\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_data\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
08:41:08 (31756): C:/Windows/system32/cmd.exe exited; CPU time 1935.265625
08:41:08 (31756): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 45168487 bytes.
Dumping objects ->
{3835307} normal block at 0x00000268395A6C20, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x000002683B373A70, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x000002683B373350, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x000002683B3736B0, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x000002683B374250, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x00000268395A6600, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x000002683B33DA70, 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) : {3835218} normal block at 0x00000268395778D0, 8 bytes long.
 Data: <  	;h   > 00 00 09 3B 68 02 00 00 
{3834570} normal block at 0x000002683B33E360, 102 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 0x0000026839576A20, 8 bytes long.
 Data: < &#137;7;h   > 20 89 37 3B 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026839581930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002683957D510, 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 0x0000026839582DD0, 16 bytes long.
 Data: < BX9h           > 08 42 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000268395835A0, 16 bytes long.
 Data: <&#224;AX9h           > E0 41 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002683957BE50, 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 0x0000026839582D80, 16 bytes long.
 Data: <&#184;AX9h           > B8 41 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026839582BF0, 16 bytes long.
 Data: < AX9h           > 90 41 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026839583820, 16 bytes long.
 Data: <hAX9h           > 68 41 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026839582F60, 16 bytes long.
 Data: <@AX9h           > 40 41 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002683957DAF0, 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 0x0000026839583550, 16 bytes long.
 Data: < (X9h           > 08 28 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002683957C6F0, 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 0x0000026839583780, 16 bytes long.
 Data: <&#224;'X9h           > E0 27 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026839582C40, 16 bytes long.
 Data: <&#184;'X9h           > B8 27 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026839582F10, 16 bytes long.
 Data: < 'X9h           > 90 27 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026839583190, 16 bytes long.
 Data: <h'X9h           > 68 27 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026839582AB0, 16 bytes long.
 Data: <@'X9h           > 40 27 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000268395838C0, 16 bytes long.
 Data: < 'X9h           > 18 27 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002683957BFD0, 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 0x0000026839583140, 16 bytes long.
 Data: <&#240;&X9h           > F0 26 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000268395826F0, 320 bytes long.
 Data: <@1X9h   &#208;&#191;W9h   > 40 31 58 39 68 02 00 00 D0 BF 57 39 68 02 00 00 
{274} normal block at 0x00000268395836E0, 16 bytes long.
 Data: < AX9h           > 20 41 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026839583230, 16 bytes long.
 Data: <&#248;@X9h           > F8 40 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002683957C150, 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 0x0000026839583460, 16 bytes long.
 Data: <&#208;@X9h           > D0 40 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002683957BC70, 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 0x0000026839583000, 16 bytes long.
 Data: < @X9h           > 18 40 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026839583410, 16 bytes long.
 Data: <&#240;?X9h           > F0 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026839582A10, 16 bytes long.
 Data: <&#200;?X9h           > C8 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000268395831E0, 16 bytes long.
 Data: <&#160;?X9h           > A0 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000268395833C0, 16 bytes long.
 Data: <x?X9h           > 78 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026839583370, 16 bytes long.
 Data: <P?X9h           > 50 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026839582B50, 16 bytes long.
 Data: < &#222;W9h           > 00 DE 57 39 68 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002683957DE00, 40 bytes long.
 Data: <P+X9h    fZ9h   > 50 2B 58 39 68 02 00 00 00 66 5A 39 68 02 00 00 
{260} normal block at 0x0000026839582A60, 16 bytes long.
 Data: <0?X9h           > 30 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026839583320, 16 bytes long.
 Data: < ?X9h           > 08 3F 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002683957C690, 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 0x0000026839582EC0, 16 bytes long.
 Data: <&#224;>X9h           > E0 3E 58 39 68 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026839583EE0, 992 bytes long.
 Data: <&#192;.X9h    &#198;W9h   > C0 2E 58 39 68 02 00 00 90 C6 57 39 68 02 00 00 
{92} normal block at 0x000002683957C030, 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 0x0000026839577970, 16 bytes long.
 Data: <P&#223;W9h           > 50 DF 57 39 68 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002683957DF50, 40 bytes long.
 Data: <pyW9h   0&#192;W9h   > 70 79 57 39 68 02 00 00 30 C0 57 39 68 02 00 00 
{69} normal block at 0x0000026839577650, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026839577060, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026839577010, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026839576FC0, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026839576F70, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026839577790, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026839576D90, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026839576C00, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026839577470, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000268395771A0, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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