Task 38689010

Name test_920-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1622_0
Workunit 31630296
Created 28 Oct 2026, 17:37:52 UTC
Sent 28 Oct 2026, 17:37:56 UTC
Report deadline 2 Nov 2026, 17:37:56 UTC
Received 28 Oct 2026, 18:03:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 12 sec
CPU time 22 min 9 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 707.20 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
18:39:09 (10788): wrapper (7.9.26016): starting
18:39:09 (10788): 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
18:39:10 (10788): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:39:10 (10788): 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
19:01:55 (10788): C:/Windows/system32/cmd.exe exited; CPU time 1329.531250
19:01:55 (10788): 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: 23194337 bytes.
Dumping objects ->
{3835503} normal block at 0x00000209551CE380, 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 0x00000209551CE540, 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 0x00000209551CE460, 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 0x00000209551CDD60, 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 0x00000209550F61E0, 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 0x0000020956E2A430, 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 0x00000209550EE4F0, 8 bytes long.
 Data: <  ^U	   > 00 00 5E 55 09 02 00 00 
{3833963} normal block at 0x00000209550EE4A0, 8 bytes long.
 Data: < &#221; U	   > 20 DD 0D 55 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000209550F28E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000209550DF680, 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 0x00000209550F6B30, 16 bytes long.
 Data: <&#216;| U	           > D8 7C 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000209550F7120, 16 bytes long.
 Data: <&#176;| U	           > B0 7C 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000209550F0710, 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 0x00000209550F6F40, 16 bytes long.
 Data: < | U	           > 88 7C 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000209550F6E00, 16 bytes long.
 Data: <`| U	           > 60 7C 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000209550F7350, 16 bytes long.
 Data: <8| U	           > 38 7C 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000209550F6D10, 16 bytes long.
 Data: < | U	           > 10 7C 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000209550F65D0, 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 0x00000209550F6EF0, 16 bytes long.
 Data: <H&#255; U	           > 48 FF 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000209550F0DD0, 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 0x00000209550F6EA0, 16 bytes long.
 Data: < &#255; U	           > 20 FF 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000209550F78F0, 16 bytes long.
 Data: <&#248;&#254; U	           > F8 FE 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000209550F6C70, 16 bytes long.
 Data: <&#208;&#254; U	           > D0 FE 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000209550F72B0, 16 bytes long.
 Data: <&#168;&#254; U	           > A8 FE 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000209550F7490, 16 bytes long.
 Data: < &#254; U	           > 80 FE 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000209550F7030, 16 bytes long.
 Data: <X&#254; U	           > 58 FE 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000209550F0CB0, 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 0x00000209550F71C0, 16 bytes long.
 Data: <0&#254; U	           > 30 FE 0D 55 09 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000209550DFE30, 320 bytes long.
 Data: <&#192;q U	   &#176;  U	   > C0 71 0F 55 09 02 00 00 B0 0C 0F 55 09 02 00 00 
{277} normal block at 0x00000209550F74E0, 16 bytes long.
 Data: <&#240;{ U	           > F0 7B 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000209550F7440, 16 bytes long.
 Data: <&#200;{ U	           > C8 7B 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000209550F0830, 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 0x00000209550F7170, 16 bytes long.
 Data: <&#160;{ U	           > A0 7B 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000209550F04D0, 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 0x00000209550F76C0, 16 bytes long.
 Data: <&#232;z U	           > E8 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000209550F6AE0, 16 bytes long.
 Data: <&#192;z U	           > C0 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000209550F78A0, 16 bytes long.
 Data: < z U	           > 98 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000209550F7760, 16 bytes long.
 Data: <pz U	           > 70 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000209550F6A90, 16 bytes long.
 Data: <Hz U	           > 48 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000209550F7300, 16 bytes long.
 Data: < z U	           > 20 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000209550F7260, 16 bytes long.
 Data: < g U	           > 20 67 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000209550F6720, 40 bytes long.
 Data: <`r U	   0&#164;&#226;V	   > 60 72 0F 55 09 02 00 00 30 A4 E2 56 09 02 00 00 
{263} normal block at 0x00000209550F75D0, 16 bytes long.
 Data: < z U	           > 00 7A 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000209550F6A40, 16 bytes long.
 Data: <&#216;y U	           > D8 79 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000209550F0AD0, 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 0x00000209550F6D60, 16 bytes long.
 Data: <&#176;y U	           > B0 79 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000209550F79B0, 992 bytes long.
 Data: <`m U	   &#208;  U	   > 60 6D 0F 55 09 02 00 00 D0 0A 0F 55 09 02 00 00 
{95} normal block at 0x00000209550F0650, 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 0x00000209550EE9F0, 16 bytes long.
 Data: <&#240;d U	           > F0 64 0F 55 09 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000209550F64F0, 40 bytes long.
 Data: <&#240;&#233; U	   P  U	   > F0 E9 0E 55 09 02 00 00 50 06 0F 55 09 02 00 00 
{72} normal block at 0x00000209550EEA90, 16 bytes long.
 Data: < &#234; p&#247;           > 80 EA 20 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000209550EEA40, 16 bytes long.
 Data: <@&#233; p&#247;           > 40 E9 20 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000209550EED60, 16 bytes long.
 Data: <&#248;W p&#247;           > F8 57 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000209550EE5E0, 16 bytes long.
 Data: <&#216;W p&#247;           > D8 57 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000209550EE950, 16 bytes long.
 Data: <P  p&#247;           > 50 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000209550EF030, 16 bytes long.
 Data: <0  p&#247;           > 30 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000209550EE900, 16 bytes long.
 Data: <&#224;  p&#247;           > E0 02 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000209550EE3B0, 16 bytes long.
 Data: <   p&#247;           > 10 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000209550EF2B0, 16 bytes long.
 Data: <p  p&#247;           > 70 04 1D 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000209550EF210, 16 bytes long.
 Data: < &#192; p&#247;           > 18 C0 1B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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