Task 38685747

Name test_59-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8584_0
Workunit 31627205
Created 27 Oct 2026, 22:42:39 UTC
Sent 27 Oct 2026, 22:42:43 UTC
Report deadline 1 Nov 2026, 22:42:43 UTC
Received 27 Oct 2026, 23:33:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625441
Run time 50 min 1 sec
CPU time 45 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.16 MB
Peak swap size 5.21 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:44:47 (3908): wrapper (7.9.26016): starting
17:44:47 (3908): 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
17:44:49 (3908): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:44:49 (3908): 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\15\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\15\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
18:33:10 (3908): C:/Windows/system32/cmd.exe exited; CPU time 2742.359375
18:33:10 (3908): 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: 52858575 bytes.
Dumping objects ->
{3835249} normal block at 0x000001F26C1CCEA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001F26A4B4DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001F26A4B4C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001F26A4B4B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001F26A4B4AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001F26C21A8F0, 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) : {3835161} normal block at 0x000001F26A4AFBE0, 8 bytes long.
 Data: <  &#151;j&#242;   > 00 00 97 6A F2 01 00 00 
{3833957} normal block at 0x000001F26A4B08B0, 8 bytes long.
 Data: <&#160;C'l&#242;   > A0 43 27 6C F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F26A4B1370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F26A49EBB0, 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 0x000001F26A4B5D20, 16 bytes long.
 Data: <xWKj&#242;           > 78 57 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F26A4B64A0, 16 bytes long.
 Data: <PWKj&#242;           > 50 57 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F26A4AF5B0, 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 0x000001F26A4B5960, 16 bytes long.
 Data: <(WKj&#242;           > 28 57 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F26A4B5E10, 16 bytes long.
 Data: < WKj&#242;           > 00 57 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F26A4B67C0, 16 bytes long.
 Data: <&#216;VKj&#242;           > D8 56 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F26A4B6360, 16 bytes long.
 Data: <&#176;VKj&#242;           > B0 56 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F26A4B4F90, 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 0x000001F26A4B60E0, 16 bytes long.
 Data: <&#168; Jj&#242;           > A8 03 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F26A4AF130, 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 0x000001F26A4B5C80, 16 bytes long.
 Data: <  Jj&#242;           > 80 03 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F26A4B6090, 16 bytes long.
 Data: <X Jj&#242;           > 58 03 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F26A4B6040, 16 bytes long.
 Data: <0 Jj&#242;           > 30 03 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F26A4B5FF0, 16 bytes long.
 Data: <  Jj&#242;           > 08 03 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F26A4B5FA0, 16 bytes long.
 Data: <&#224; Jj&#242;           > E0 02 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F26A4B5F50, 16 bytes long.
 Data: <&#184; Jj&#242;           > B8 02 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F26A4AEC50, 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 0x000001F26A4B5B90, 16 bytes long.
 Data: <  Jj&#242;           > 90 02 4A 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F26A4A0290, 320 bytes long.
 Data: < [Kj&#242;   P&#236;Jj&#242;   > 90 5B 4B 6A F2 01 00 00 50 EC 4A 6A F2 01 00 00 
{274} normal block at 0x000001F26A4B6270, 16 bytes long.
 Data: < VKj&#242;           > 90 56 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F26A4B58C0, 16 bytes long.
 Data: <hVKj&#242;           > 68 56 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F26A4AF010, 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 0x000001F26A4B5DC0, 16 bytes long.
 Data: <@VKj&#242;           > 40 56 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F26A4AF730, 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 0x000001F26A4B5D70, 16 bytes long.
 Data: < UKj&#242;           > 88 55 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F26A4B5BE0, 16 bytes long.
 Data: <`UKj&#242;           > 60 55 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F26A4B65E0, 16 bytes long.
 Data: <8UKj&#242;           > 38 55 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F26A4B6590, 16 bytes long.
 Data: < UKj&#242;           > 10 55 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F26A4AFB90, 16 bytes long.
 Data: <&#232;TKj&#242;           > E8 54 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F26A4AFB40, 16 bytes long.
 Data: <&#192;TKj&#242;           > C0 54 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F26A4B07C0, 16 bytes long.
 Data: <@NKj&#242;           > 40 4E 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F26A4B4E40, 40 bytes long.
 Data: <&#192; Kj&#242;   &#240;&#168;!l&#242;   > C0 07 4B 6A F2 01 00 00 F0 A8 21 6C F2 01 00 00 
{260} normal block at 0x000001F26A4B0680, 16 bytes long.
 Data: <&#160;TKj&#242;           > A0 54 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F26A4B0270, 16 bytes long.
 Data: <xTKj&#242;           > 78 54 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F26A4AEF50, 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 0x000001F26A4B0220, 16 bytes long.
 Data: <PTKj&#242;           > 50 54 4B 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F26A4B5450, 992 bytes long.
 Data: <  Kj&#242;   P&#239;Jj&#242;   > 20 02 4B 6A F2 01 00 00 50 EF 4A 6A F2 01 00 00 
{92} normal block at 0x000001F26A4AEBF0, 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 0x000001F26A4B06D0, 16 bytes long.
 Data: <&#176;&#255;Ij&#242;           > B0 FF 49 6A F2 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F26A49FFB0, 40 bytes long.
 Data: <&#208; Kj&#242;   &#240;&#235;Jj&#242;   > D0 06 4B 6A F2 01 00 00 F0 EB 4A 6A F2 01 00 00 
{69} normal block at 0x000001F26A4AFC80, 16 bytes long.
 Data: < &#234;&#174;&#235;&#247;           > 80 EA AE EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F26A4B0130, 16 bytes long.
 Data: <@&#233;&#174;&#235;&#247;           > 40 E9 AE EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F26A4AFC30, 16 bytes long.
 Data: <&#248;W&#171;&#235;&#247;           > F8 57 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F26A4B0310, 16 bytes long.
 Data: <&#216;W&#171;&#235;&#247;           > D8 57 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F26A4AF9B0, 16 bytes long.
 Data: <P &#171;&#235;&#247;           > 50 04 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F26A4B0040, 16 bytes long.
 Data: <0 &#171;&#235;&#247;           > 30 04 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F26A4AFE10, 16 bytes long.
 Data: <&#224; &#171;&#235;&#247;           > E0 02 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F26A4B05E0, 16 bytes long.
 Data: <  &#171;&#235;&#247;           > 10 04 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F26A4AFA50, 16 bytes long.
 Data: <p &#171;&#235;&#247;           > 70 04 AB EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F26A4B0770, 16 bytes long.
 Data: < &#192;&#169;&#235;&#247;           > 18 C0 A9 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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