Task 38683534

Name test_744-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0042_0
Workunit 31625088
Created 27 Oct 2026, 12:10:47 UTC
Sent 27 Oct 2026, 12:10:55 UTC
Report deadline 1 Nov 2026, 12:10:55 UTC
Received 28 Oct 2026, 0:16:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 33 min 44 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.55 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:42:40 (23852): wrapper (7.9.26016): starting
23:42:40 (23852): 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
23:42:41 (23852): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:42:41 (23852): 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:\BOINC2\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:\BOINC2\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
00:15:33 (23852): C:/Windows/system32/cmd.exe exited; CPU time 1963.843750
00:15:33 (23852): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 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: 37190533 bytes.
Dumping objects ->
{3835234} normal block at 0x000001E38E742930, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x000001E390464BC0, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x000001E390464F20, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x000001E390464E00, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x000001E390464AA0, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x000001E38E742A10, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x000001E39042CDE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x000001E38E73D040, 8 bytes long.
 Data: <  j&#142;&#227;   > 00 00 6A 8E E3 01 00 00 
{3834543} normal block at 0x000001E39042CF40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001E38E73D130, 8 bytes long.
 Data: <&#208;&#234;2 &#227;   > D0 EA 32 90 E3 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E38E73ECF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E38E735CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001E38E743560, 16 bytes long.
 Data: <HGt&#142;&#227;           > 48 47 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E38E743B50, 16 bytes long.
 Data: < Gt&#142;&#227;           > 20 47 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E38E73E400, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001E38E7436F0, 16 bytes long.
 Data: <&#248;Ft&#142;&#227;           > F8 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E38E743240, 16 bytes long.
 Data: <&#208;Ft&#142;&#227;           > D0 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E38E743EC0, 16 bytes long.
 Data: <&#168;Ft&#142;&#227;           > A8 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E38E743830, 16 bytes long.
 Data: < Ft&#142;&#227;           > 80 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E38E742E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001E38E743A60, 16 bytes long.
 Data: <H s&#142;&#227;           > 48 90 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E38E73DE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001E38E743D30, 16 bytes long.
 Data: <  s&#142;&#227;           > 20 90 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E38E743A10, 16 bytes long.
 Data: <&#248; s&#142;&#227;           > F8 8F 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E38E7437E0, 16 bytes long.
 Data: <&#208; s&#142;&#227;           > D0 8F 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E38E743B00, 16 bytes long.
 Data: <&#168; s&#142;&#227;           > A8 8F 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E38E743970, 16 bytes long.
 Data: <  s&#142;&#227;           > 80 8F 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E38E743470, 16 bytes long.
 Data: <X s&#142;&#227;           > 58 8F 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E38E73DEC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001E38E743510, 16 bytes long.
 Data: <0 s&#142;&#227;           > 30 8F 73 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E38E738F30, 320 bytes long.
 Data: < 5t&#142;&#227;   &#192;&#222;s&#142;&#227;   > 10 35 74 8E E3 01 00 00 C0 DE 73 8E E3 01 00 00 
{277} normal block at 0x000001E38E7439C0, 16 bytes long.
 Data: <`Ft&#142;&#227;           > 60 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E38E7431F0, 16 bytes long.
 Data: <8Ft&#142;&#227;           > 38 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E38E73E580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001E38E743790, 16 bytes long.
 Data: < Ft&#142;&#227;           > 10 46 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E38E73E040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001E38E7431A0, 16 bytes long.
 Data: <XEt&#142;&#227;           > 58 45 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E38E743420, 16 bytes long.
 Data: <0Et&#142;&#227;           > 30 45 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E38E743150, 16 bytes long.
 Data: < Et&#142;&#227;           > 08 45 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E38E7438D0, 16 bytes long.
 Data: <&#224;Dt&#142;&#227;           > E0 44 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E38E743E20, 16 bytes long.
 Data: <&#184;Dt&#142;&#227;           > B8 44 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E38E743C40, 16 bytes long.
 Data: < Dt&#142;&#227;           > 90 44 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E38E743740, 16 bytes long.
 Data: <&#192;(t&#142;&#227;           > C0 28 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E38E7428C0, 40 bytes long.
 Data: <@7t&#142;&#227;    *t&#142;&#227;   > 40 37 74 8E E3 01 00 00 10 2A 74 8E E3 01 00 00 
{263} normal block at 0x000001E38E7433D0, 16 bytes long.
 Data: <pDt&#142;&#227;           > 70 44 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E38E7430B0, 16 bytes long.
 Data: <HDt&#142;&#227;           > 48 44 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E38E73E160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001E38E743DD0, 16 bytes long.
 Data: < Dt&#142;&#227;           > 20 44 74 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E38E744420, 992 bytes long.
 Data: <&#208;=t&#142;&#227;   `&#225;s&#142;&#227;   > D0 3D 74 8E E3 01 00 00 60 E1 73 8E E3 01 00 00 
{95} normal block at 0x000001E38E73E520, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001E38E73CFF0, 16 bytes long.
 Data: < &#227;r&#142;&#227;           > 90 E3 72 8E E3 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E38E72E390, 40 bytes long.
 Data: <&#240;&#207;s&#142;&#227;    &#229;s&#142;&#227;   > F0 CF 73 8E E3 01 00 00 20 E5 73 8E E3 01 00 00 
{72} normal block at 0x000001E38E73D590, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E38E73D3B0, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E38E73D220, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E38E73CCD0, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E38E73CF00, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E38E73D360, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E38E73D720, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E38E73D630, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E38E73CB40, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E38E73D5E0, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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