Task 38654592

Name test_99-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0292_0
Workunit 31598404
Created 24 Oct 2026, 7:34:56 UTC
Sent 24 Oct 2026, 7:35:11 UTC
Report deadline 29 Oct 2026, 7:35:11 UTC
Received 25 Oct 2026, 18:51:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605313
Run time 27 min 1 sec
CPU time 25 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.21 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:31:17 (35976): wrapper (7.9.26016): starting
13:31:17 (35976): 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
13:31:18 (35976): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:31:18 (35976): 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\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:\ProgramData\BOINC\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
13:57:14 (35976): C:/Windows/system32/cmd.exe exited; CPU time 1512.562500
13:57:14 (35976): 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: 33062635 bytes.
Dumping objects ->
{3835221} normal block at 0x0000019EC51E0A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000019EC51E0A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000019EC51E08B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000019EC51E12C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000019EC51E0840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x0000019EC52DBB20, 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) : {3835133} normal block at 0x0000019EC349E7B0, 8 bytes long.
 Data: <  E&#195;&#158;   > 00 00 45 C3 9E 01 00 00 
{3833975} normal block at 0x0000019EC349E760, 8 bytes long.
 Data: <&#224; 3&#197;&#158;   > E0 8D 33 C5 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000019EC349D2A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000019EC3496950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000019EC34AA2F0, 16 bytes long.
 Data: <&#248;&#179;J&#195;&#158;           > F8 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000019EC34AACA0, 16 bytes long.
 Data: <&#208;&#179;J&#195;&#158;           > D0 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000019EC34A4EF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000019EC34AA2A0, 16 bytes long.
 Data: <&#168;&#179;J&#195;&#158;           > A8 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019EC34AA930, 16 bytes long.
 Data: < &#179;J&#195;&#158;           > 80 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019EC34AA250, 16 bytes long.
 Data: <X&#179;J&#195;&#158;           > 58 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019EC34AA750, 16 bytes long.
 Data: <0&#179;J&#195;&#158;           > 30 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019EC34A6490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000019EC34AAB60, 16 bytes long.
 Data: <XNI&#195;&#158;           > 58 4E 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019EC34A42F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000019EC34AA200, 16 bytes long.
 Data: <0NI&#195;&#158;           > 30 4E 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019EC34AAD90, 16 bytes long.
 Data: < NI&#195;&#158;           > 08 4E 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019EC34AAD40, 16 bytes long.
 Data: <&#224;MI&#195;&#158;           > E0 4D 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019EC34AA700, 16 bytes long.
 Data: <&#184;MI&#195;&#158;           > B8 4D 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019EC34AA6B0, 16 bytes long.
 Data: < MI&#195;&#158;           > 90 4D 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019EC34AAC50, 16 bytes long.
 Data: <hMI&#195;&#158;           > 68 4D 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019EC34A47D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000019EC34AAF70, 16 bytes long.
 Data: <@MI&#195;&#158;           > 40 4D 49 C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019EC3494D40, 320 bytes long.
 Data: <p&#175;J&#195;&#158;   &#208;GJ&#195;&#158;   > 70 AF 4A C3 9E 01 00 00 D0 47 4A C3 9E 01 00 00 
{283} normal block at 0x0000019EC34AA110, 16 bytes long.
 Data: < &#179;J&#195;&#158;           > 10 B3 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019EC34AA5C0, 16 bytes long.
 Data: <&#232;&#178;J&#195;&#158;           > E8 B2 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019EC34A4530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000019EC34AA340, 16 bytes long.
 Data: <&#192;&#178;J&#195;&#158;           > C0 B2 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019EC34A4A70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000019EC34AA610, 16 bytes long.
 Data: < &#178;J&#195;&#158;           > 08 B2 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019EC34AABB0, 16 bytes long.
 Data: <&#224;&#177;J&#195;&#158;           > E0 B1 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019EC34AA1B0, 16 bytes long.
 Data: <&#184;&#177;J&#195;&#158;           > B8 B1 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019EC34AAED0, 16 bytes long.
 Data: < &#177;J&#195;&#158;           > 90 B1 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019EC34AAAC0, 16 bytes long.
 Data: <h&#177;J&#195;&#158;           > 68 B1 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019EC34AA390, 16 bytes long.
 Data: <@&#177;J&#195;&#158;           > 40 B1 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019EC34AAE80, 16 bytes long.
 Data: < aJ&#195;&#158;           > 80 61 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019EC34A6180, 40 bytes long.
 Data: < &#174;J&#195;&#158;    &#187;-&#197;&#158;   > 80 AE 4A C3 9E 01 00 00 20 BB 2D C5 9E 01 00 00 
{269} normal block at 0x0000019EC34AAE30, 16 bytes long.
 Data: < &#177;J&#195;&#158;           > 20 B1 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019EC34AB060, 16 bytes long.
 Data: <&#248;&#176;J&#195;&#158;           > F8 B0 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019EC34A4710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000019EC34AA160, 16 bytes long.
 Data: <&#208;&#176;J&#195;&#158;           > D0 B0 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019EC34AB0D0, 992 bytes long.
 Data: <`&#161;J&#195;&#158;    GJ&#195;&#158;   > 60 A1 4A C3 9E 01 00 00 10 47 4A C3 9E 01 00 00 
{101} normal block at 0x0000019EC34A4650, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000019EC349EC10, 16 bytes long.
 Data: <&#224;eJ&#195;&#158;           > E0 65 4A C3 9E 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000019EC34A65E0, 40 bytes long.
 Data: < &#236;I&#195;&#158;   PFJ&#195;&#158;   > 10 EC 49 C3 9E 01 00 00 50 46 4A C3 9E 01 00 00 
{78} normal block at 0x0000019EC349E0D0, 16 bytes long.
 Data: < &#234;&#178;&#243;&#247;           > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000019EC349E3F0, 16 bytes long.
 Data: <@&#233;&#178;&#243;&#247;           > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000019EC349E260, 16 bytes long.
 Data: <&#248;W&#175;&#243;&#247;           > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000019EC349E710, 16 bytes long.
 Data: <&#216;W&#175;&#243;&#247;           > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019EC349EC60, 16 bytes long.
 Data: <P &#175;&#243;&#247;           > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000019EC349E1C0, 16 bytes long.
 Data: <0 &#175;&#243;&#247;           > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019EC349DFE0, 16 bytes long.
 Data: <&#224; &#175;&#243;&#247;           > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019EC349EB70, 16 bytes long.
 Data: <  &#175;&#243;&#247;           > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019EC349E3A0, 16 bytes long.
 Data: <p &#175;&#243;&#247;           > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019EC349E990, 16 bytes long.
 Data: < &#192;&#173;&#243;&#247;           > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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