Task 38673037

Name test_316-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND1032_0
Workunit 31615144
Created 26 Oct 2026, 1:16:46 UTC
Sent 26 Oct 2026, 1:16:53 UTC
Report deadline 31 Oct 2026, 1:16:53 UTC
Received 26 Oct 2026, 3:28:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 51 sec
CPU time 31 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.08 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:55:34 (10916): wrapper (7.9.26016): starting
22:55:34 (10916): 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
22:55:35 (10916): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:55:35 (10916): 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\2\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\2\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
23:27:46 (10916): C:/Windows/system32/cmd.exe exited; CPU time 1873.187500
23:27:46 (10916): 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: 40107335 bytes.
Dumping objects ->
{3835478} normal block at 0x000001EE328CCCB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000001EE328CD0A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001EE328CCE70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x000001EE30CB4EF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x000001EE30CB4D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x000001EE32915AD0, 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) : {3835390} normal block at 0x000001EE30CB0F60, 8 bytes long.
 Data: <  &#200;0&#238;   > 00 00 C8 30 EE 01 00 00 
{3833961} normal block at 0x000001EE30CB0D80, 8 bytes long.
 Data: <`R&#151;2&#238;   > 60 52 97 32 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EE30CA5F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EE30CA7150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001EE30CB5F00, 16 bytes long.
 Data: <&#216;V&#203;0&#238;           > D8 56 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EE30CB5BE0, 16 bytes long.
 Data: <&#176;V&#203;0&#238;           > B0 56 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE30CAFFE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001EE30CB5C80, 16 bytes long.
 Data: < V&#203;0&#238;           > 88 56 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE30CB5FF0, 16 bytes long.
 Data: <`V&#203;0&#238;           > 60 56 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE30CB5910, 16 bytes long.
 Data: <8V&#203;0&#238;           > 38 56 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE30CB63B0, 16 bytes long.
 Data: < V&#203;0&#238;           > 10 56 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE30CB4B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001EE30CB65E0, 16 bytes long.
 Data: < &#185;&#201;0&#238;           > 08 B9 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE30CB0400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001EE30CB5F50, 16 bytes long.
 Data: <&#224;&#184;&#201;0&#238;           > E0 B8 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE30CB5C30, 16 bytes long.
 Data: <&#184;&#184;&#201;0&#238;           > B8 B8 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE30CB6450, 16 bytes long.
 Data: < &#184;&#201;0&#238;           > 90 B8 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE30CB64F0, 16 bytes long.
 Data: <h&#184;&#201;0&#238;           > 68 B8 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE30CB5FA0, 16 bytes long.
 Data: <@&#184;&#201;0&#238;           > 40 B8 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE30CB6360, 16 bytes long.
 Data: < &#184;&#201;0&#238;           > 18 B8 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE30CAF980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001EE30CB5DC0, 16 bytes long.
 Data: <&#240;&#183;&#201;0&#238;           > F0 B7 C9 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE30C9B7F0, 320 bytes long.
 Data: <&#192;]&#203;0&#238;    &#249;&#202;0&#238;   > C0 5D CB 30 EE 01 00 00 80 F9 CA 30 EE 01 00 00 
{276} normal block at 0x000001EE30CB5E10, 16 bytes long.
 Data: <&#240;U&#203;0&#238;           > F0 55 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EE30CB6180, 16 bytes long.
 Data: <&#200;U&#203;0&#238;           > C8 55 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE30CAFF80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001EE30CB5EB0, 16 bytes long.
 Data: <&#160;U&#203;0&#238;           > A0 55 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE30CAFBC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001EE30CB5CD0, 16 bytes long.
 Data: <&#232;T&#203;0&#238;           > E8 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE30CB61D0, 16 bytes long.
 Data: <&#192;T&#203;0&#238;           > C0 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE30CB59B0, 16 bytes long.
 Data: < T&#203;0&#238;           > 98 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE30CB6310, 16 bytes long.
 Data: <pT&#203;0&#238;           > 70 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE30CB5D20, 16 bytes long.
 Data: <HT&#203;0&#238;           > 48 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE30CB0D30, 16 bytes long.
 Data: < T&#203;0&#238;           > 20 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE30CB0920, 16 bytes long.
 Data: <&#176;I&#203;0&#238;           > B0 49 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE30CB49B0, 40 bytes long.
 Data: < 	&#203;0&#238;   &#208;Z&#145;2&#238;   > 20 09 CB 30 EE 01 00 00 D0 5A 91 32 EE 01 00 00 
{262} normal block at 0x000001EE30CB0CE0, 16 bytes long.
 Data: < T&#203;0&#238;           > 00 54 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE30CB1690, 16 bytes long.
 Data: <&#216;S&#203;0&#238;           > D8 53 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE30CB0040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001EE30CB1640, 16 bytes long.
 Data: <&#176;S&#203;0&#238;           > B0 53 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE30CB53B0, 992 bytes long.
 Data: <@ &#203;0&#238;   @ &#203;0&#238;   > 40 16 CB 30 EE 01 00 00 40 00 CB 30 EE 01 00 00 
{94} normal block at 0x000001EE30CB07C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001EE30CB0B00, 16 bytes long.
 Data: <&#240;G&#203;0&#238;           > F0 47 CB 30 EE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EE30CB47F0, 40 bytes long.
 Data: <  &#203;0&#238;   &#192; &#203;0&#238;   > 00 0B CB 30 EE 01 00 00 C0 07 CB 30 EE 01 00 00 
{71} normal block at 0x000001EE30CB12D0, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EE30CB1000, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE30CB0B50, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE30CB0A60, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE30CB0A10, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE30CB1050, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE30CB16E0, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE30CB0EC0, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE30CB14B0, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE30CB0E70, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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