Task 38685503

Name test_737-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1099_0
Workunit 31626969
Created 27 Oct 2026, 21:25:11 UTC
Sent 27 Oct 2026, 21:25:15 UTC
Report deadline 1 Nov 2026, 21:25:15 UTC
Received 27 Oct 2026, 22:24:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559474
Run time 34 min 25 sec
CPU time 29 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.41 MB
Peak swap size 6.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:51:41 (19352): wrapper (7.9.26016): starting
14:51:41 (19352): 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
14:51:43 (19352): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:51:43 (19352): 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 'E:\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 'E:\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
15:24:14 (19352): C:/Windows/system32/cmd.exe exited; CPU time 1796.859375
15:24:14 (19352): 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: 38922563 bytes.
Dumping objects ->
{3835207} normal block at 0x000001549AC70A70, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001549AC70BC0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001549AC70FB0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x000001549AC714F0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001549AC70990, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x000001549AD1D080, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x0000015499107270, 8 bytes long.
 Data: <  &#169;&#154;T   > 00 00 A9 9A 54 01 00 00 
{3833955} normal block at 0x0000015499106CD0, 8 bytes long.
 Data: <&#192; &#202;&#154;T   > C0 00 CA 9A 54 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015499111780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000154990FB6A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000015499112C70, 16 bytes long.
 Data: <&#200;M  T           > C8 4D 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015499112950, 16 bytes long.
 Data: <&#160;M  T           > A0 4D 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001549910D290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000015499112B30, 16 bytes long.
 Data: <xM  T           > 78 4D 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000154991133A0, 16 bytes long.
 Data: <PM  T           > 50 4D 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000154991127C0, 16 bytes long.
 Data: <(M  T           > 28 4D 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000154991135D0, 16 bytes long.
 Data: < M  T           > 00 4D 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001549910B9F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000015499113350, 16 bytes long.
 Data: < &#206;  T           > 08 CE 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001549910DAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000015499113620, 16 bytes long.
 Data: <&#224;&#205;  T           > E0 CD 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015499113300, 16 bytes long.
 Data: <&#184;&#205;  T           > B8 CD 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000154991132B0, 16 bytes long.
 Data: < &#205;  T           > 90 CD 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015499113260, 16 bytes long.
 Data: <h&#205;  T           > 68 CD 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015499112900, 16 bytes long.
 Data: <@&#205;  T           > 40 CD 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015499113440, 16 bytes long.
 Data: < &#205;  T           > 18 CD 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001549910D950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000015499112F90, 16 bytes long.
 Data: <&#240;&#204;  T           > F0 CC 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001549910CCF0, 320 bytes long.
 Data: < /  T   P&#217;  T   > 90 2F 11 99 54 01 00 00 50 D9 10 99 54 01 00 00 
{273} normal block at 0x0000015499112CC0, 16 bytes long.
 Data: <&#224;L  T           > E0 4C 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015499113210, 16 bytes long.
 Data: <&#184;L  T           > B8 4C 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001549910D470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000015499112A90, 16 bytes long.
 Data: < L  T           > 90 4C 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001549910D830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000015499112810, 16 bytes long.
 Data: <&#216;K  T           > D8 4B 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015499112BD0, 16 bytes long.
 Data: <&#176;K  T           > B0 4B 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000154991128B0, 16 bytes long.
 Data: < K  T           > 88 4B 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000154991130D0, 16 bytes long.
 Data: <`K  T           > 60 4B 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000154991131C0, 16 bytes long.
 Data: <8K  T           > 38 4B 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015499112770, 16 bytes long.
 Data: < K  T           > 10 4B 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000154991126D0, 16 bytes long.
 Data: < &#185;  T           > 80 B9 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001549910B980, 40 bytes long.
 Data: <&#208;&  T    &#208;&#209;&#154;T   > D0 26 11 99 54 01 00 00 80 D0 D1 9A 54 01 00 00 
{259} normal block at 0x00000154991129A0, 16 bytes long.
 Data: <&#240;J  T           > F0 4A 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015499113080, 16 bytes long.
 Data: <&#200;J  T           > C8 4A 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001549910DBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000015499112D60, 16 bytes long.
 Data: <&#160;J  T           > A0 4A 11 99 54 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015499114AA0, 992 bytes long.
 Data: <`-  T   &#240;&#219;  T   > 60 2D 11 99 54 01 00 00 F0 DB 10 99 54 01 00 00 
{91} normal block at 0x000001549910D7D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000015499106BE0, 16 bytes long.
 Data: <&#208;&#186;  T           > D0 BA 10 99 54 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001549910BAD0, 40 bytes long.
 Data: <&#224;k  T   &#208;&#215;  T   > E0 6B 10 99 54 01 00 00 D0 D7 10 99 54 01 00 00 
{68} normal block at 0x0000015499107180, 16 bytes long.
 Data: < &#234;&#222;y&#246;           > 80 EA DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015499107090, 16 bytes long.
 Data: <@&#233;&#222;y&#246;           > 40 E9 DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015499106B90, 16 bytes long.
 Data: <&#248;W&#219;y&#246;           > F8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015499106910, 16 bytes long.
 Data: <&#216;W&#219;y&#246;           > D8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015499107400, 16 bytes long.
 Data: <P &#219;y&#246;           > 50 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000154991073B0, 16 bytes long.
 Data: <0 &#219;y&#246;           > 30 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015499106FA0, 16 bytes long.
 Data: <&#224; &#219;y&#246;           > E0 02 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015499106F00, 16 bytes long.
 Data: <  &#219;y&#246;           > 10 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015499106C80, 16 bytes long.
 Data: <p &#219;y&#246;           > 70 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015499106F50, 16 bytes long.
 Data: < &#192;&#217;y&#246;           > 18 C0 D9 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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