Task 38695195

Name test_262-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7854_0
Workunit 31635906
Created 31 Oct 2026, 7:41:41 UTC
Sent 31 Oct 2026, 7:41:51 UTC
Report deadline 5 Nov 2026, 7:41:51 UTC
Received 31 Oct 2026, 8:11:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 614701
Run time 28 min 58 sec
CPU time 25 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,214.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.61 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:43:32 (60772): wrapper (7.9.26016): starting
00:43:32 (60772): 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
00:43:34 (60772): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:43:34 (60772): 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\16\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\16\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
01:11:08 (60772): C:/Windows/system32/cmd.exe exited; CPU time 1545.000000
01:11:08 (60772): 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: 52187005 bytes.
Dumping objects ->
{3835209} normal block at 0x000001F35168E030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001F35168DBD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001F34F9853E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x000001F34F985370, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001F34F985140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x000001F3516D61B0, 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) : {3835121} normal block at 0x000001F34F97DC30, 8 bytes long.
 Data: <  QQ&#243;   > 00 00 51 51 F3 01 00 00 
{3833965} normal block at 0x000001F34F97E310, 8 bytes long.
 Data: < I O&#243;   > 20 49 98 4F F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F34F981620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F34F977030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001F34F986170, 16 bytes long.
 Data: <Xo O&#243;           > 58 6F 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F34F9868A0, 16 bytes long.
 Data: <0o O&#243;           > 30 6F 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F34F97FD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001F34F986670, 16 bytes long.
 Data: < o O&#243;           > 08 6F 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F34F986490, 16 bytes long.
 Data: <&#224;n O&#243;           > E0 6E 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F34F9867B0, 16 bytes long.
 Data: <&#184;n O&#243;           > B8 6E 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F34F986350, 16 bytes long.
 Data: < n O&#243;           > 90 6E 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F34F9855A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001F34F986AD0, 16 bytes long.
 Data: <&#216;&#241;&#151;O&#243;           > D8 F1 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F34F980230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001F34F9862B0, 16 bytes long.
 Data: <&#176;&#241;&#151;O&#243;           > B0 F1 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F34F985E00, 16 bytes long.
 Data: < &#241;&#151;O&#243;           > 88 F1 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F34F985C70, 16 bytes long.
 Data: <`&#241;&#151;O&#243;           > 60 F1 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F34F986A80, 16 bytes long.
 Data: <8&#241;&#151;O&#243;           > 38 F1 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F34F986A30, 16 bytes long.
 Data: < &#241;&#151;O&#243;           > 10 F1 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F34F985EF0, 16 bytes long.
 Data: <&#232;&#240;&#151;O&#243;           > E8 F0 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F34F97FBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001F34F985D10, 16 bytes long.
 Data: <&#192;&#240;&#151;O&#243;           > C0 F0 97 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F34F97F0C0, 320 bytes long.
 Data: < ] O&#243;   &#208;&#251;&#151;O&#243;   > 10 5D 98 4F F3 01 00 00 D0 FB 97 4F F3 01 00 00 
{278} normal block at 0x000001F34F9866C0, 16 bytes long.
 Data: <pn O&#243;           > 70 6E 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F34F986080, 16 bytes long.
 Data: <Hn O&#243;           > 48 6E 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F34F97F7B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001F34F9865D0, 16 bytes long.
 Data: < n O&#243;           > 20 6E 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F34F97FFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001F34F986300, 16 bytes long.
 Data: <hm O&#243;           > 68 6D 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F34F986B70, 16 bytes long.
 Data: <@m O&#243;           > 40 6D 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F34F985F90, 16 bytes long.
 Data: < m O&#243;           > 18 6D 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F34F986440, 16 bytes long.
 Data: <&#240;l O&#243;           > F0 6C 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F34F9868F0, 16 bytes long.
 Data: <&#200;l O&#243;           > C8 6C 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F34F986620, 16 bytes long.
 Data: <&#160;l O&#243;           > A0 6C 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F34F986940, 16 bytes long.
 Data: <0U O&#243;           > 30 55 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F34F985530, 40 bytes long.
 Data: <@i O&#243;   &#176;amQ&#243;   > 40 69 98 4F F3 01 00 00 B0 61 6D 51 F3 01 00 00 
{264} normal block at 0x000001F34F9861C0, 16 bytes long.
 Data: < l O&#243;           > 80 6C 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F34F9869E0, 16 bytes long.
 Data: <Xl O&#243;           > 58 6C 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F34F9800B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001F34F986260, 16 bytes long.
 Data: <0l O&#243;           > 30 6C 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F34F986C30, 992 bytes long.
 Data: <`b O&#243;   &#176;  O&#243;   > 60 62 98 4F F3 01 00 00 B0 00 98 4F F3 01 00 00 
{96} normal block at 0x000001F34F9801D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001F34F97DE60, 16 bytes long.
 Data: <&#192;T O&#243;           > C0 54 98 4F F3 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001F34F9854C0, 40 bytes long.
 Data: <`&#222;&#151;O&#243;   &#208;  O&#243;   > 60 DE 97 4F F3 01 00 00 D0 01 98 4F F3 01 00 00 
{73} normal block at 0x000001F34F97DA50, 16 bytes long.
 Data: < &#234; &#232;&#247;           > 80 EA 0D E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F34F97DE10, 16 bytes long.
 Data: <@&#233; &#232;&#247;           > 40 E9 0D E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F34F97E090, 16 bytes long.
 Data: <&#248;W &#232;&#247;           > F8 57 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F34F97DDC0, 16 bytes long.
 Data: <&#216;W &#232;&#247;           > D8 57 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F34F97DAA0, 16 bytes long.
 Data: <P  &#232;&#247;           > 50 04 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F34F97D690, 16 bytes long.
 Data: <0  &#232;&#247;           > 30 04 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F34F97E0E0, 16 bytes long.
 Data: <&#224;  &#232;&#247;           > E0 02 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F34F97D640, 16 bytes long.
 Data: <   &#232;&#247;           > 10 04 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F34F97DD70, 16 bytes long.
 Data: <p  &#232;&#247;           > 70 04 0A E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F34F97DBE0, 16 bytes long.
 Data: < &#192; &#232;&#247;           > 18 C0 08 E8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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