Task 38673251

Name test_465-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8796_0
Workunit 31615344
Created 26 Oct 2026, 1:58:22 UTC
Sent 26 Oct 2026, 1:58:26 UTC
Report deadline 31 Oct 2026, 1:58:26 UTC
Received 26 Oct 2026, 2:21:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602597
Run time 22 min 27 sec
CPU time 16 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,001.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.52 MB
Peak swap size 8.51 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:59:34 (134284): wrapper (7.9.26016): starting
18:59:34 (134284): 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
18:59:35 (134284): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:35 (134284): 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\17\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\17\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
19:21:05 (134284): C:/Windows/system32/cmd.exe exited; CPU time 981.781250
19:21:05 (134284): 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: 28966571 bytes.
Dumping objects ->
{3835198} normal block at 0x000001F186FA12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001F186FA0BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001F186FA0ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x000001F186FA0B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001F186FA1410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x000001F18704CC30, 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) : {3835110} normal block at 0x000001F1853FAB20, 8 bytes long.
 Data: <  &#226;&#134;&#241;   > 00 00 E2 86 F1 01 00 00 
{3833959} normal block at 0x000001F1853FAF80, 8 bytes long.
 Data: <&#176;&#195;>&#133;&#241;   > B0 C3 3E 85 F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F1853EF910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F1853EBFB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F185402C30, 16 bytes long.
 Data: < C@&#133;&#241;           > 18 43 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F185403B30, 16 bytes long.
 Data: <&#240;B@&#133;&#241;           > F0 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1853FCD20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F185402F00, 16 bytes long.
 Data: <&#200;B@&#133;&#241;           > C8 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F185402E60, 16 bytes long.
 Data: <&#160;B@&#133;&#241;           > A0 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F185403220, 16 bytes long.
 Data: <xB@&#133;&#241;           > 78 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F185402EB0, 16 bytes long.
 Data: <PB@&#133;&#241;           > 50 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1853FEE80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F185402CD0, 16 bytes long.
 Data: <h&#223;>&#133;&#241;           > 68 DF 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F1853FCE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F185403A90, 16 bytes long.
 Data: <@&#223;>&#133;&#241;           > 40 DF 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F185403A40, 16 bytes long.
 Data: < &#223;>&#133;&#241;           > 18 DF 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F185403180, 16 bytes long.
 Data: <&#240;&#222;>&#133;&#241;           > F0 DE 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F185403950, 16 bytes long.
 Data: <&#200;&#222;>&#133;&#241;           > C8 DE 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F1854030E0, 16 bytes long.
 Data: <&#160;&#222;>&#133;&#241;           > A0 DE 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F185402D20, 16 bytes long.
 Data: <x&#222;>&#133;&#241;           > 78 DE 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F1853FD740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F1854034A0, 16 bytes long.
 Data: <P&#222;>&#133;&#241;           > 50 DE 3E 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F1853EDE50, 320 bytes long.
 Data: <&#160;4@&#133;&#241;   @&#215;?&#133;&#241;   > A0 34 40 85 F1 01 00 00 40 D7 3F 85 F1 01 00 00 
{275} normal block at 0x000001F1854039F0, 16 bytes long.
 Data: <0B@&#133;&#241;           > 30 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F1854034F0, 16 bytes long.
 Data: < B@&#133;&#241;           > 08 42 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F1853FD1A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F185402C80, 16 bytes long.
 Data: <&#224;A@&#133;&#241;           > E0 41 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F1853FD9E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F1854033B0, 16 bytes long.
 Data: <(A@&#133;&#241;           > 28 41 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F1854038B0, 16 bytes long.
 Data: < A@&#133;&#241;           > 00 41 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1854039A0, 16 bytes long.
 Data: <&#216;@@&#133;&#241;           > D8 40 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F185403630, 16 bytes long.
 Data: <&#176;@@&#133;&#241;           > B0 40 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F185403860, 16 bytes long.
 Data: < @@&#133;&#241;           > 88 40 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F185402FF0, 16 bytes long.
 Data: <`@@&#133;&#241;           > 60 40 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F185403590, 16 bytes long.
 Data: <p&#235;?&#133;&#241;           > 70 EB 3F 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1853FEB70, 40 bytes long.
 Data: < 5@&#133;&#241;   0&#204; &#135;&#241;   > 90 35 40 85 F1 01 00 00 30 CC 04 87 F1 01 00 00 
{261} normal block at 0x000001F185402DC0, 16 bytes long.
 Data: <@@@&#133;&#241;           > 40 40 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F185402D70, 16 bytes long.
 Data: < @@&#133;&#241;           > 18 40 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F1853FD0E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F185403130, 16 bytes long.
 Data: <&#240;?@&#133;&#241;           > F0 3F 40 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F185403FF0, 992 bytes long.
 Data: <01@&#133;&#241;   &#224;&#208;?&#133;&#241;   > 30 31 40 85 F1 01 00 00 E0 D0 3F 85 F1 01 00 00 
{93} normal block at 0x000001F1853FD2C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F1853FABC0, 16 bytes long.
 Data: < &#235;?&#133;&#241;           > 00 EB 3F 85 F1 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F1853FEB00, 40 bytes long.
 Data: <&#192;&#171;?&#133;&#241;   &#192;&#210;?&#133;&#241;   > C0 AB 3F 85 F1 01 00 00 C0 D2 3F 85 F1 01 00 00 
{70} normal block at 0x000001F1853FB480, 16 bytes long.
 Data: < &#234;	w&#246;           > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F1853FAB70, 16 bytes long.
 Data: <@&#233;	w&#246;           > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F1853FAD00, 16 bytes long.
 Data: <&#248;W w&#246;           > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F1853FB7F0, 16 bytes long.
 Data: <&#216;W w&#246;           > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F1853FAC60, 16 bytes long.
 Data: <P  w&#246;           > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F1853FB7A0, 16 bytes long.
 Data: <0  w&#246;           > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1853FB890, 16 bytes long.
 Data: <&#224;  w&#246;           > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F1853FB430, 16 bytes long.
 Data: <   w&#246;           > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F1853FB110, 16 bytes long.
 Data: <p  w&#246;           > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F1853FB070, 16 bytes long.
 Data: < &#192; w&#246;           > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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