Task 38694712

Name test_575-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4817_0
Workunit 31635447
Created 31 Oct 2026, 1:31:10 UTC
Sent 31 Oct 2026, 1:31:14 UTC
Report deadline 5 Nov 2026, 1:31:14 UTC
Received 31 Oct 2026, 3:51:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 45 min 35 sec
CPU time 44 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.49 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:05:34 (50564): wrapper (7.9.26016): starting
20:05:34 (50564): 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
20:05:35 (50564): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:05:35 (50564): 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\2\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\2\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
20:50:20 (50564): C:/Windows/system32/cmd.exe exited; CPU time 2642.593750
20:50:20 (50564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 88425229 bytes.
Dumping objects ->
{3835638} normal block at 0x00000204D1112100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x00000204D1112C60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x00000204D11128E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x00000204D1112870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x00000204D1112DB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x00000204CF5F07E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x00000204D1220FA0, 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) : {3835549} normal block at 0x00000204CF5BCC80, 8 bytes long.
 Data: <   &#207;    > 00 00 8D CF 04 02 00 00 
{3834742} normal block at 0x00000204D12211B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x00000204CF5BCC30, 8 bytes long.
 Data: <&#176;u&&#209;    > B0 75 26 D1 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000204CF5C1860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000204CF5B8680, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x00000204CF5C84A0, 16 bytes long.
 Data: <&#168;&#139;\&#207;            > A8 8B 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000204CF5C8810, 16 bytes long.
 Data: < &#139;\&#207;            > 80 8B 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000204CF5C3BD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x00000204CF5C8270, 16 bytes long.
 Data: <X&#139;\&#207;            > 58 8B 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000204CF5C8540, 16 bytes long.
 Data: <0&#139;\&#207;            > 30 8B 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000204CF5C8680, 16 bytes long.
 Data: < &#139;\&#207;            > 08 8B 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000204CF5C8130, 16 bytes long.
 Data: <&#224;&#138;\&#207;            > E0 8A 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000204CF5C63F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x00000204CF5C8040, 16 bytes long.
 Data: <  [&#207;            > 98 02 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000204CF5C30F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x00000204CF5C7D20, 16 bytes long.
 Data: <p [&#207;            > 70 02 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000204CF5C7C30, 16 bytes long.
 Data: <H [&#207;            > 48 02 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000204CF5C7FA0, 16 bytes long.
 Data: <  [&#207;            > 20 02 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000204CF5C8220, 16 bytes long.
 Data: <&#248; [&#207;            > F8 01 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000204CF5C7CD0, 16 bytes long.
 Data: <&#208; [&#207;            > D0 01 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000204CF5C87C0, 16 bytes long.
 Data: <&#168; [&#207;            > A8 01 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204CF5C34B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x00000204CF5C7FF0, 16 bytes long.
 Data: <  [&#207;            > 80 01 5B CF 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204CF5B0180, 320 bytes long.
 Data: <&#240; \&#207;    &#176;4\&#207;    > F0 7F 5C CF 04 02 00 00 B0 34 5C CF 04 02 00 00 
{289} normal block at 0x00000204CF5C7EB0, 16 bytes long.
 Data: <&#192;&#138;\&#207;            > C0 8A 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000204CF5C7E60, 16 bytes long.
 Data: < &#138;\&#207;            > 98 8A 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204CF5C3210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x00000204CF5C7F50, 16 bytes long.
 Data: <p&#138;\&#207;            > 70 8A 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204CF5C3F90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x00000204CF5C81D0, 16 bytes long.
 Data: <&#184;&#137;\&#207;            > B8 89 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000204CF5C7AA0, 16 bytes long.
 Data: < &#137;\&#207;            > 90 89 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204CF5C7BE0, 16 bytes long.
 Data: <h&#137;\&#207;            > 68 89 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204CF5C7A00, 16 bytes long.
 Data: <@&#137;\&#207;            > 40 89 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000204CF5C8770, 16 bytes long.
 Data: < &#137;\&#207;            > 18 89 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204CF5C7C80, 16 bytes long.
 Data: <&#240; \&#207;            > F0 88 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204CF5C7E10, 16 bytes long.
 Data: <`d\&#207;            > 60 64 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000204CF5C6460, 40 bytes long.
 Data: < ~\&#207;    &#224; _&#207;    > 10 7E 5C CF 04 02 00 00 E0 07 5F CF 04 02 00 00 
{275} normal block at 0x00000204CF5C7DC0, 16 bytes long.
 Data: <&#208; \&#207;            > D0 88 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000204CF5C7F00, 16 bytes long.
 Data: <&#168; \&#207;            > A8 88 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204CF5C31B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x00000204CF5C7B40, 16 bytes long.
 Data: <  \&#207;            > 80 88 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000204CF5C8880, 992 bytes long.
 Data: <@{\&#207;    &#176;1\&#207;    > 40 7B 5C CF 04 02 00 00 B0 31 5C CF 04 02 00 00 
{107} normal block at 0x00000204CF5C3C90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x00000204CF5BC8C0, 16 bytes long.
 Data: < _\&#207;            > 90 5F 5C CF 04 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000204CF5C5F90, 40 bytes long.
 Data: <&#192;&#200;[&#207;     <\&#207;    > C0 C8 5B CF 04 02 00 00 90 3C 5C CF 04 02 00 00 
{84} normal block at 0x00000204CF5BC190, 16 bytes long.
 Data: < &#234;.&#245;&#246;           > 80 EA 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000204CF5BC0F0, 16 bytes long.
 Data: <@&#233;.&#245;&#246;           > 40 E9 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000204CF5BC140, 16 bytes long.
 Data: <&#248;W+&#245;&#246;           > F8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000204CF5BBEC0, 16 bytes long.
 Data: <&#216;W+&#245;&#246;           > D8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000204CF5BC870, 16 bytes long.
 Data: <P +&#245;&#246;           > 50 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000204CF5BCA00, 16 bytes long.
 Data: <0 +&#245;&#246;           > 30 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000204CF5BBF10, 16 bytes long.
 Data: <&#224; +&#245;&#246;           > E0 02 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000204CF5BBFB0, 16 bytes long.
 Data: <  +&#245;&#246;           > 10 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000204CF5BBF60, 16 bytes long.
 Data: <p +&#245;&#246;           > 70 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000204CF5BC640, 16 bytes long.
 Data: < &#192;)&#245;&#246;           > 18 C0 29 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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