Task 38670196

Name test_864-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1542_0
Workunit 31612458
Created 25 Oct 2026, 16:46:08 UTC
Sent 25 Oct 2026, 16:46:14 UTC
Report deadline 30 Oct 2026, 16:46:14 UTC
Received 25 Oct 2026, 17:15:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 28 sec
CPU time 22 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.35 MB
Peak swap size 3.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
17:51:21 (23088): wrapper (7.9.26016): starting
17:51:21 (23088): 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
17:51:22 (23088): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:22 (23088): 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
18:14:13 (23088): C:/Windows/system32/cmd.exe exited; CPU time 1335.484375
18:14:13 (23088): 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: 23709383 bytes.
Dumping objects ->
{3835503} normal block at 0x000002B8B0E342A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000002B8B0E33D60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002B8B0E340E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x000002B8B0E34930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000002B8AF125E00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x000002B8B0DAB990, 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) : {3835415} normal block at 0x000002B8AF11E3B0, 8 bytes long.
 Data: <  g&#175;&#184;   > 00 00 67 AF B8 02 00 00 
{3833963} normal block at 0x000002B8AF11E040, 8 bytes long.
 Data: < &#234;&#203;&#176;&#184;   > 90 EA CB B0 B8 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002B8AF121D60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B8AF116910, 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 0x000002B8AF126B20, 16 bytes long.
 Data: <&#184;s &#175;&#184;           > B8 73 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B8AF126EE0, 16 bytes long.
 Data: < s &#175;&#184;           > 90 73 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B8AF11FE30, 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 0x000002B8AF126AD0, 16 bytes long.
 Data: <hs &#175;&#184;           > 68 73 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B8AF126A80, 16 bytes long.
 Data: <@s &#175;&#184;           > 40 73 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B8AF126210, 16 bytes long.
 Data: < s &#175;&#184;           > 18 73 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B8AF1264E0, 16 bytes long.
 Data: <&#240;r &#175;&#184;           > F0 72 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B8AF125BD0, 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 0x000002B8AF126300, 16 bytes long.
 Data: <X  &#175;&#184;           > 58 98 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B8AF11FC50, 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 0x000002B8AF1262B0, 16 bytes long.
 Data: <0  &#175;&#184;           > 30 98 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B8AF126A30, 16 bytes long.
 Data: <   &#175;&#184;           > 08 98 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B8AF126C10, 16 bytes long.
 Data: <&#224;&#151; &#175;&#184;           > E0 97 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B8AF126580, 16 bytes long.
 Data: <&#184;&#151; &#175;&#184;           > B8 97 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B8AF126990, 16 bytes long.
 Data: < &#151; &#175;&#184;           > 90 97 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B8AF126940, 16 bytes long.
 Data: <h&#151; &#175;&#184;           > 68 97 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B8AF120610, 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 0x000002B8AF126F80, 16 bytes long.
 Data: <@&#151; &#175;&#184;           > 40 97 11 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B8AF119740, 320 bytes long.
 Data: < o &#175;&#184;      &#175;&#184;   > 80 6F 12 AF B8 02 00 00 10 06 12 AF B8 02 00 00 
{277} normal block at 0x000002B8AF126F30, 16 bytes long.
 Data: <&#208;r &#175;&#184;           > D0 72 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B8AF126710, 16 bytes long.
 Data: <&#168;r &#175;&#184;           > A8 72 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B8AF1202B0, 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 0x000002B8AF126C60, 16 bytes long.
 Data: < r &#175;&#184;           > 80 72 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B8AF11FE90, 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 0x000002B8AF1261C0, 16 bytes long.
 Data: <&#200;q &#175;&#184;           > C8 71 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B8AF1266C0, 16 bytes long.
 Data: <&#160;q &#175;&#184;           > A0 71 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B8AF126800, 16 bytes long.
 Data: <xq &#175;&#184;           > 78 71 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B8AF126E90, 16 bytes long.
 Data: <Pq &#175;&#184;           > 50 71 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B8AF126D00, 16 bytes long.
 Data: <(q &#175;&#184;           > 28 71 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B8AF126490, 16 bytes long.
 Data: < q &#175;&#184;           > 00 71 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B8AF1268F0, 16 bytes long.
 Data: <&#240;Z &#175;&#184;           > F0 5A 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B8AF125AF0, 40 bytes long.
 Data: <&#240;h &#175;&#184;    &#185;&#218;&#176;&#184;   > F0 68 12 AF B8 02 00 00 90 B9 DA B0 B8 02 00 00 
{263} normal block at 0x000002B8AF126850, 16 bytes long.
 Data: <&#224;p &#175;&#184;           > E0 70 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B8AF126170, 16 bytes long.
 Data: <&#184;p &#175;&#184;           > B8 70 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B8AF120670, 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 0x000002B8AF126530, 16 bytes long.
 Data: < p &#175;&#184;           > 90 70 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B8AF127090, 992 bytes long.
 Data: <0e &#175;&#184;   p  &#175;&#184;   > 30 65 12 AF B8 02 00 00 70 06 12 AF B8 02 00 00 
{95} normal block at 0x000002B8AF11FEF0, 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 0x000002B8AF11DCD0, 16 bytes long.
 Data: <&#192;_ &#175;&#184;           > C0 5F 12 AF B8 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002B8AF125FC0, 40 bytes long.
 Data: <&#208;&#220; &#175;&#184;   &#240;&#254; &#175;&#184;   > D0 DC 11 AF B8 02 00 00 F0 FE 11 AF B8 02 00 00 
{72} normal block at 0x000002B8AF11E2C0, 16 bytes long.
 Data: < &#234;4&#215;&#247;           > 80 EA 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B8AF11DA50, 16 bytes long.
 Data: <@&#233;4&#215;&#247;           > 40 E9 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B8AF11E680, 16 bytes long.
 Data: <&#248;W1&#215;&#247;           > F8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B8AF11E360, 16 bytes long.
 Data: <&#216;W1&#215;&#247;           > D8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B8AF11DB40, 16 bytes long.
 Data: <P 1&#215;&#247;           > 50 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B8AF11E630, 16 bytes long.
 Data: <0 1&#215;&#247;           > 30 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B8AF11DDC0, 16 bytes long.
 Data: <&#224; 1&#215;&#247;           > E0 02 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B8AF11DC30, 16 bytes long.
 Data: <  1&#215;&#247;           > 10 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B8AF11DE10, 16 bytes long.
 Data: <p 1&#215;&#247;           > 70 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B8AF11E1D0, 16 bytes long.
 Data: < &#192;/&#215;&#247;           > 18 C0 2F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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