Task 38670503

Name test_538-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0126_0
Workunit 31612749
Created 25 Oct 2026, 17:45:46 UTC
Sent 25 Oct 2026, 17:45:50 UTC
Report deadline 30 Oct 2026, 17:45:50 UTC
Received 25 Oct 2026, 19:00:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652945
Run time 21 min 51 sec
CPU time 20 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.71 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:39:34 (32188): wrapper (7.9.26016): starting
19:39:34 (32188): 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
19:39:35 (32188): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:39:35 (32188): 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
20:00:34 (32188): C:/Windows/system32/cmd.exe exited; CPU time 1210.296875
20:00:34 (32188): 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: 26248199 bytes.
Dumping objects ->
{3835496} normal block at 0x00000269C07EBA30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835485} normal block at 0x00000269C07EBDB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835474} normal block at 0x00000269C07EBC60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835463} normal block at 0x00000269C07EBB80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835452} normal block at 0x00000269C07EC2F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835421} normal block at 0x00000269C259E5F0, 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) : {3835408} normal block at 0x00000269C07C7760, 8 bytes long.
 Data: <  &#231;&#192;i   > 00 00 E7 C0 69 02 00 00 
{3833971} normal block at 0x00000269C07C76C0, 8 bytes long.
 Data: < &#233;~&#192;i   > 20 E9 7E C0 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000269C07BD470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000269C07B68F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000269C07C1280, 16 bytes long.
 Data: <&#248;&#182; &#192;i           > F8 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000269C07C1230, 16 bytes long.
 Data: <&#208;&#182; &#192;i           > D0 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000269C080A410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000269C07C1C80, 16 bytes long.
 Data: <&#168;&#182; &#192;i           > A8 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000269C07C1C30, 16 bytes long.
 Data: < &#182; &#192;i           > 80 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000269C07C1B90, 16 bytes long.
 Data: <X&#182; &#192;i           > 58 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000269C07C1140, 16 bytes long.
 Data: <0&#182; &#192;i           > 30 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000269C07C2D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000269C07C1FF0, 16 bytes long.
 Data: <(m|&#192;i           > 28 6D 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000269C080A470, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000269C07C1B40, 16 bytes long.
 Data: < m|&#192;i           > 00 6D 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000269C07C1AF0, 16 bytes long.
 Data: <&#216;l|&#192;i           > D8 6C 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000269C07C1A50, 16 bytes long.
 Data: <&#176;l|&#192;i           > B0 6C 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000269C07C1FA0, 16 bytes long.
 Data: < l|&#192;i           > 88 6C 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000269C07C7530, 16 bytes long.
 Data: <`l|&#192;i           > 60 6C 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000269C07C7B20, 16 bytes long.
 Data: <8l|&#192;i           > 38 6C 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000269C080B310, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000269C07C7C10, 16 bytes long.
 Data: < l|&#192;i           > 10 6C 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000269C07C6C10, 320 bytes long.
 Data: < ||&#192;i    &#179; &#192;i   > 10 7C 7C C0 69 02 00 00 10 B3 80 C0 69 02 00 00 
{281} normal block at 0x00000269C07C7AD0, 16 bytes long.
 Data: < &#182; &#192;i           > 10 B6 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000269C07C75D0, 16 bytes long.
 Data: <&#232;&#181; &#192;i           > E8 B5 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000269C080AEF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000269C07C7BC0, 16 bytes long.
 Data: <&#192;&#181; &#192;i           > C0 B5 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000269C080B130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000269C07C7580, 16 bytes long.
 Data: < &#181; &#192;i           > 08 B5 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000269C07C7A80, 16 bytes long.
 Data: <&#224;&#180; &#192;i           > E0 B4 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000269C07C7A30, 16 bytes long.
 Data: <&#184;&#180; &#192;i           > B8 B4 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000269C07C79E0, 16 bytes long.
 Data: < &#180; &#192;i           > 90 B4 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000269C07C7990, 16 bytes long.
 Data: <h&#180; &#192;i           > 68 B4 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000269C07C78F0, 16 bytes long.
 Data: <@&#180; &#192;i           > 40 B4 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000269C07C78A0, 16 bytes long.
 Data: <&#240;+|&#192;i           > F0 2B 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000269C07C2BF0, 40 bytes long.
 Data: <&#160;x|&#192;i   &#240;&#229;Y&#194;i   > A0 78 7C C0 69 02 00 00 F0 E5 59 C2 69 02 00 00 
{267} normal block at 0x00000269C07C7850, 16 bytes long.
 Data: < &#180; &#192;i           > 20 B4 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000269C07C7B70, 16 bytes long.
 Data: <&#248;&#179; &#192;i           > F8 B3 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000269C080A890, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000269C07C7620, 16 bytes long.
 Data: <&#208;&#179; &#192;i           > D0 B3 80 C0 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000269C080B3D0, 992 bytes long.
 Data: < v|&#192;i    &#168; &#192;i   > 20 76 7C C0 69 02 00 00 90 A8 80 C0 69 02 00 00 
{99} normal block at 0x00000269C07BFCA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000269C07C1D70, 16 bytes long.
 Data: <&#160;1|&#192;i           > A0 31 7C C0 69 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000269C07C31A0, 40 bytes long.
 Data: <p |&#192;i   &#160;&#252;{&#192;i   > 70 1D 7C C0 69 02 00 00 A0 FC 7B C0 69 02 00 00 
{76} normal block at 0x00000269C07C1820, 16 bytes long.
 Data: < &#234;&#245;&#179;&#247;           > 80 EA F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000269C07C1910, 16 bytes long.
 Data: <@&#233;&#245;&#179;&#247;           > 40 E9 F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000269C07C1690, 16 bytes long.
 Data: <&#248;W&#242;&#179;&#247;           > F8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000269C07C1D20, 16 bytes long.
 Data: <&#216;W&#242;&#179;&#247;           > D8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000269C07C10A0, 16 bytes long.
 Data: <P &#242;&#179;&#247;           > 50 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000269C07C1EB0, 16 bytes long.
 Data: <0 &#242;&#179;&#247;           > 30 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000269C07C10F0, 16 bytes long.
 Data: <&#224; &#242;&#179;&#247;           > E0 02 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000269C07C1730, 16 bytes long.
 Data: <  &#242;&#179;&#247;           > 10 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000269C07C18C0, 16 bytes long.
 Data: <p &#242;&#179;&#247;           > 70 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000269C07C16E0, 16 bytes long.
 Data: < &#192;&#240;&#179;&#247;           > 18 C0 F0 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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