Task 38676217

Name test_342-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0946_0
Workunit 31618145
Created 26 Oct 2026, 10:37:25 UTC
Sent 26 Oct 2026, 10:37:28 UTC
Report deadline 31 Oct 2026, 10:37:28 UTC
Received 26 Oct 2026, 12:15:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 33 min 10 sec
CPU time 32 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.20 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:42:31 (28820): wrapper (7.9.26016): starting
06:42:31 (28820): 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
06:42:32 (28820): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:42:32 (28820): 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
07:15:12 (28820): C:/Windows/system32/cmd.exe exited; CPU time 1958.812500
07:15:12 (28820): 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: 30217645 bytes.
Dumping objects ->
{3835546} normal block at 0x0000029FE3F3E3C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000029FE21063D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000029FE21062F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000029FE21064B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000029FE2106280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000029FE3F891D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000029FE3F9FCD0, 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) : {3835457} normal block at 0x0000029FE2100390, 8 bytes long.
 Data: <  a&#226;&#159;   > 00 00 61 E2 9F 02 00 00 
{3834682} normal block at 0x0000029FE3FA05C0, 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 0x0000029FE2100070, 8 bytes long.
 Data: <&#176;7 &#228;&#159;   > B0 37 01 E4 9F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000029FE2102A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029FE20F8780, 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 0x0000029FE2107460, 16 bytes long.
 Data: <&#248;| &#226;&#159;           > F8 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029FE2107140, 16 bytes long.
 Data: <&#208;| &#226;&#159;           > D0 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029FE2101990, 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 0x0000029FE21075F0, 16 bytes long.
 Data: <&#168;| &#226;&#159;           > A8 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029FE2106F10, 16 bytes long.
 Data: < | &#226;&#159;           > 80 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029FE2106EC0, 16 bytes long.
 Data: <X| &#226;&#159;           > 58 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029FE21070F0, 16 bytes long.
 Data: <0| &#226;&#159;           > 30 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029FE2106130, 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 0x0000029FE21075A0, 16 bytes long.
 Data: <H  &#226;&#159;           > 48 01 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029FE21013F0, 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 0x0000029FE2106E20, 16 bytes long.
 Data: <   &#226;&#159;           > 20 01 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029FE21070A0, 16 bytes long.
 Data: <&#248;  &#226;&#159;           > F8 00 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029FE2106F60, 16 bytes long.
 Data: <&#208;  &#226;&#159;           > D0 00 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029FE2106AB0, 16 bytes long.
 Data: <&#168;  &#226;&#159;           > A8 00 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029FE2107190, 16 bytes long.
 Data: <   &#226;&#159;           > 80 00 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029FE2106E70, 16 bytes long.
 Data: <X  &#226;&#159;           > 58 00 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029FE21016F0, 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 0x0000029FE2107690, 16 bytes long.
 Data: <0  &#226;&#159;           > 30 00 0F E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029FE20F0030, 320 bytes long.
 Data: < v &#226;&#159;   &#240;  &#226;&#159;   > 90 76 10 E2 9F 02 00 00 F0 16 10 E2 9F 02 00 00 
{274} normal block at 0x0000029FE2106FB0, 16 bytes long.
 Data: < | &#226;&#159;           > 10 7C 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029FE21072D0, 16 bytes long.
 Data: <&#232;{ &#226;&#159;           > E8 7B 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029FE21014B0, 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 0x0000029FE2106DD0, 16 bytes long.
 Data: <&#192;{ &#226;&#159;           > C0 7B 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029FE2101E70, 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 0x0000029FE21071E0, 16 bytes long.
 Data: < { &#226;&#159;           > 08 7B 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029FE2107320, 16 bytes long.
 Data: <&#224;z &#226;&#159;           > E0 7A 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029FE2106C40, 16 bytes long.
 Data: <&#184;z &#226;&#159;           > B8 7A 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029FE2107870, 16 bytes long.
 Data: < z &#226;&#159;           > 90 7A 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029FE2106A60, 16 bytes long.
 Data: <hz &#226;&#159;           > 68 7A 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029FE2107050, 16 bytes long.
 Data: <@z &#226;&#159;           > 40 7A 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029FE2107370, 16 bytes long.
 Data: < e &#226;&#159;           > 20 65 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029FE2106520, 40 bytes long.
 Data: <ps &#226;&#159;   &#208;&#145;&#248;&#227;&#159;   > 70 73 10 E2 9F 02 00 00 D0 91 F8 E3 9F 02 00 00 
{260} normal block at 0x0000029FE2106B00, 16 bytes long.
 Data: < z &#226;&#159;           > 20 7A 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029FE2107000, 16 bytes long.
 Data: <&#248;y &#226;&#159;           > F8 79 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029FE2101510, 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 0x0000029FE2107730, 16 bytes long.
 Data: <&#208;y &#226;&#159;           > D0 79 10 E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029FE21079D0, 992 bytes long.
 Data: <0w &#226;&#159;      &#226;&#159;   > 30 77 10 E2 9F 02 00 00 10 15 10 E2 9F 02 00 00 
{92} normal block at 0x0000029FE21015D0, 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 0x0000029FE2100BB0, 16 bytes long.
 Data: <&#224;&#198; &#226;&#159;           > E0 C6 0E E2 9F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000029FE20EC6E0, 40 bytes long.
 Data: <&#176;  &#226;&#159;   &#208;  &#226;&#159;   > B0 0B 10 E2 9F 02 00 00 D0 15 10 E2 9F 02 00 00 
{69} normal block at 0x0000029FE2100CA0, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029FE21004D0, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029FE2100E80, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029FE2100750, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029FE21005C0, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029FE21003E0, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029FE2100020, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029FE2100840, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029FE2100F20, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029FE2100F70, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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