Task 38673166

Name test_268-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND1668_0
Workunit 31615265
Created 26 Oct 2026, 1:42:46 UTC
Sent 26 Oct 2026, 1:42:51 UTC
Report deadline 31 Oct 2026, 1:42:51 UTC
Received 26 Oct 2026, 2:17:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 34 min 37 sec
CPU time 32 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.04 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:44:02 (87472): wrapper (7.9.26016): starting
02:44:02 (87472): 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
02:44:03 (87472): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:44:03 (87472): 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
03:17:38 (87472): C:/Windows/system32/cmd.exe exited; CPU time 1927.109375
03:17:38 (87472): 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: 51410575 bytes.
Dumping objects ->
{3835230} normal block at 0x0000018A7C212420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000018A7C2120A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000018A7C2126C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x0000018A7C2125E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000018A7C212650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x0000018A7A50DF20, 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) : {3835142} normal block at 0x0000018A7A4E0AB0, 8 bytes long.
 Data: <  Fz&#138;   > 00 00 46 7A 8A 01 00 00 
{3833989} normal block at 0x0000018A7A4E0A10, 8 bytes long.
 Data: <@ Qz&#138;   > 40 00 51 7A 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000018A7A4D8C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000018A7A4D9E90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000018A7A4EA9A0, 16 bytes long.
 Data: <X&#181;Nz&#138;           > 58 B5 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000018A7A4EA720, 16 bytes long.
 Data: <0&#181;Nz&#138;           > 30 B5 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000018A7A4E1B50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000018A7A4EA3B0, 16 bytes long.
 Data: < &#181;Nz&#138;           > 08 B5 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000018A7A4EA2C0, 16 bytes long.
 Data: <&#224;&#180;Nz&#138;           > E0 B4 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000018A7A4EAD10, 16 bytes long.
 Data: <&#184;&#180;Nz&#138;           > B8 B4 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000018A7A4EA950, 16 bytes long.
 Data: < &#180;Nz&#138;           > 90 B4 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000018A7A4E88D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000018A7A4EB0D0, 16 bytes long.
 Data: <h Mz&#138;           > 68 15 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018A7A4E1A90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000018A7A4EB1C0, 16 bytes long.
 Data: <@ Mz&#138;           > 40 15 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018A7A4EADB0, 16 bytes long.
 Data: <  Mz&#138;           > 18 15 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018A7A4EAF40, 16 bytes long.
 Data: <&#240; Mz&#138;           > F0 14 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018A7A4EA270, 16 bytes long.
 Data: <&#200; Mz&#138;           > C8 14 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018A7A4EA630, 16 bytes long.
 Data: <&#160; Mz&#138;           > A0 14 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018A7A4EA360, 16 bytes long.
 Data: <x Mz&#138;           > 78 14 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018A7A4E2330, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000018A7A4EA310, 16 bytes long.
 Data: <P Mz&#138;           > 50 14 4D 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018A7A4D1450, 320 bytes long.
 Data: < &#163;Nz&#138;   0#Nz&#138;   > 10 A3 4E 7A 8A 01 00 00 30 23 4E 7A 8A 01 00 00 
{290} normal block at 0x0000018A7A4EA7C0, 16 bytes long.
 Data: <p&#180;Nz&#138;           > 70 B4 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018A7A4EA540, 16 bytes long.
 Data: <H&#180;Nz&#138;           > 48 B4 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018A7A4E2210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000018A7A4EA5E0, 16 bytes long.
 Data: < &#180;Nz&#138;           > 20 B4 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018A7A4E19D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000018A7A4EAB80, 16 bytes long.
 Data: <h&#179;Nz&#138;           > 68 B3 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018A7A4EB120, 16 bytes long.
 Data: <@&#179;Nz&#138;           > 40 B3 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018A7A4EA9F0, 16 bytes long.
 Data: < &#179;Nz&#138;           > 18 B3 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018A7A4EAD60, 16 bytes long.
 Data: <&#240;&#178;Nz&#138;           > F0 B2 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018A7A4EAA90, 16 bytes long.
 Data: <&#200;&#178;Nz&#138;           > C8 B2 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018A7A4EB170, 16 bytes long.
 Data: <&#160;&#178;Nz&#138;           > A0 B2 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018A7A4EA450, 16 bytes long.
 Data: <&#240;&#135;Nz&#138;           > F0 87 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018A7A4E87F0, 40 bytes long.
 Data: <P&#164;Nz&#138;    &#223;Pz&#138;   > 50 A4 4E 7A 8A 01 00 00 20 DF 50 7A 8A 01 00 00 
{276} normal block at 0x0000018A7A4EA590, 16 bytes long.
 Data: < &#178;Nz&#138;           > 80 B2 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018A7A4EA4F0, 16 bytes long.
 Data: <X&#178;Nz&#138;           > 58 B2 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018A7A4E17F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000018A7A4EA6D0, 16 bytes long.
 Data: <0&#178;Nz&#138;           > 30 B2 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018A7A4EB230, 992 bytes long.
 Data: <&#208;&#166;Nz&#138;   &#240; Nz&#138;   > D0 A6 4E 7A 8A 01 00 00 F0 17 4E 7A 8A 01 00 00 
{108} normal block at 0x0000018A7A4E1C10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000018A7A4E0CE0, 16 bytes long.
 Data: < &#142;Nz&#138;           > 80 8E 4E 7A 8A 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000018A7A4E8E80, 40 bytes long.
 Data: <&#224; Nz&#138;     Nz&#138;   > E0 0C 4E 7A 8A 01 00 00 10 1C 4E 7A 8A 01 00 00 
{85} normal block at 0x0000018A7A4E0740, 16 bytes long.
 Data: < &#234; q&#246;           > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000018A7A4E1550, 16 bytes long.
 Data: <@&#233; q&#246;           > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000018A7A4E09C0, 16 bytes long.
 Data: <&#248;W q&#246;           > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000018A7A4E1140, 16 bytes long.
 Data: <&#216;W q&#246;           > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000018A7A4E1320, 16 bytes long.
 Data: <P  q&#246;           > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000018A7A4E0600, 16 bytes long.
 Data: <0  q&#246;           > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000018A7A4E07E0, 16 bytes long.
 Data: <&#224;  q&#246;           > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000018A7A4E06F0, 16 bytes long.
 Data: <   q&#246;           > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000018A7A4E12D0, 16 bytes long.
 Data: <p  q&#246;           > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000018A7A4E06A0, 16 bytes long.
 Data: < &#192; q&#246;           > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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