Task 38673570

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8742_0
Workunit 31615641
Created 26 Oct 2026, 2:47:27 UTC
Sent 26 Oct 2026, 2:47:34 UTC
Report deadline 31 Oct 2026, 2:47:34 UTC
Received 26 Oct 2026, 3:11:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626877
Run time 22 min 48 sec
CPU time 21 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.13 MB
Peak swap size 6.93 GB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:48:30 (33180): wrapper (7.9.26016): starting
22:48:30 (33180): 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
22:48:31 (33180): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:48:31 (33180): 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\10\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\10\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
23:11:18 (33180): C:/Windows/system32/cmd.exe exited; CPU time 1294.265625
23:11:18 (33180): 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: 27562967 bytes.
Dumping objects ->
{3835213} normal block at 0x00000291C8C15850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x00000291C8C14DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000291C8C158C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835180} normal block at 0x00000291C8C153F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000291C8C15700, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835138} normal block at 0x00000291C8B3D180, 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) : {3835125} normal block at 0x00000291C6F4D5F0, 8 bytes long.
 Data: <  &#242;&#198;&#145;   > 00 00 F2 C6 91 02 00 00 
{3833963} normal block at 0x00000291C6F4D320, 8 bytes long.
 Data: < &#228;&#168;&#200;&#145;   > 80 E4 A8 C8 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000291C6F50A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000291C6F462D0, 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 0x00000291C6F55670, 16 bytes long.
 Data: <Xi&#245;&#198;&#145;           > 58 69 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000291C6F55D00, 16 bytes long.
 Data: <0i&#245;&#198;&#145;           > 30 69 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000291C6F4ED40, 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 0x00000291C6F55C10, 16 bytes long.
 Data: < i&#245;&#198;&#145;           > 08 69 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000291C6F56200, 16 bytes long.
 Data: <&#224;h&#245;&#198;&#145;           > E0 68 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000291C6F565C0, 16 bytes long.
 Data: <&#184;h&#245;&#198;&#145;           > B8 68 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000291C6F56570, 16 bytes long.
 Data: < h&#245;&#198;&#145;           > 90 68 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000291C6F540B0, 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 0x00000291C6F56160, 16 bytes long.
 Data: <8 &#244;&#198;&#145;           > 38 90 F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000291C6F4F460, 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 0x00000291C6F562F0, 16 bytes long.
 Data: <  &#244;&#198;&#145;           > 10 90 F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000291C6F55CB0, 16 bytes long.
 Data: <&#232; &#244;&#198;&#145;           > E8 8F F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000291C6F55F80, 16 bytes long.
 Data: <&#192; &#244;&#198;&#145;           > C0 8F F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000291C6F561B0, 16 bytes long.
 Data: <  &#244;&#198;&#145;           > 98 8F F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000291C6F55F30, 16 bytes long.
 Data: <p &#244;&#198;&#145;           > 70 8F F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000291C6F55FD0, 16 bytes long.
 Data: <H &#244;&#198;&#145;           > 48 8F F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000291C6F4F880, 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 0x00000291C6F55850, 16 bytes long.
 Data: <  &#244;&#198;&#145;           > 20 8F F4 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000291C6F48F20, 320 bytes long.
 Data: <PX&#245;&#198;&#145;    &#248;&#244;&#198;&#145;   > 50 58 F5 C6 91 02 00 00 80 F8 F4 C6 91 02 00 00 
{277} normal block at 0x00000291C6F55E40, 16 bytes long.
 Data: <ph&#245;&#198;&#145;           > 70 68 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000291C6F56250, 16 bytes long.
 Data: <Hh&#245;&#198;&#145;           > 48 68 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000291C6F4F700, 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 0x00000291C6F56340, 16 bytes long.
 Data: < h&#245;&#198;&#145;           > 20 68 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000291C6F4EF20, 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 0x00000291C6F56480, 16 bytes long.
 Data: <hg&#245;&#198;&#145;           > 68 67 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000291C6F55BC0, 16 bytes long.
 Data: <@g&#245;&#198;&#145;           > 40 67 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000291C6F55990, 16 bytes long.
 Data: < g&#245;&#198;&#145;           > 18 67 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000291C6F55B70, 16 bytes long.
 Data: <&#240;f&#245;&#198;&#145;           > F0 66 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000291C6F56110, 16 bytes long.
 Data: <&#200;f&#245;&#198;&#145;           > C8 66 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000291C6F56520, 16 bytes long.
 Data: <&#160;f&#245;&#198;&#145;           > A0 66 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000291C6F564D0, 16 bytes long.
 Data: <&#240;>&#245;&#198;&#145;           > F0 3E F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000291C6F53EF0, 40 bytes long.
 Data: <&#208;d&#245;&#198;&#145;    &#209;&#179;&#200;&#145;   > D0 64 F5 C6 91 02 00 00 80 D1 B3 C8 91 02 00 00 
{263} normal block at 0x00000291C6F560C0, 16 bytes long.
 Data: < f&#245;&#198;&#145;           > 80 66 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000291C6F562A0, 16 bytes long.
 Data: <Xf&#245;&#198;&#145;           > 58 66 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000291C6F4F6A0, 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 0x00000291C6F55C60, 16 bytes long.
 Data: <0f&#245;&#198;&#145;           > 30 66 F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000291C6F56630, 992 bytes long.
 Data: <`\&#245;&#198;&#145;   &#160;&#246;&#244;&#198;&#145;   > 60 5C F5 C6 91 02 00 00 A0 F6 F4 C6 91 02 00 00 
{95} normal block at 0x00000291C6F4F5E0, 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 0x00000291C6F4D550, 16 bytes long.
 Data: <`?&#245;&#198;&#145;           > 60 3F F5 C6 91 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000291C6F53F60, 40 bytes long.
 Data: <P&#213;&#244;&#198;&#145;   &#224;&#245;&#244;&#198;&#145;   > 50 D5 F4 C6 91 02 00 00 E0 F5 F4 C6 91 02 00 00 
{72} normal block at 0x00000291C6F4D910, 16 bytes long.
 Data: < &#234; o&#247;           > 80 EA 11 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000291C6F4DFA0, 16 bytes long.
 Data: <@&#233; o&#247;           > 40 E9 11 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000291C6F4DA00, 16 bytes long.
 Data: <&#248;W o&#247;           > F8 57 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000291C6F4DD20, 16 bytes long.
 Data: <&#216;W o&#247;           > D8 57 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000291C6F4D780, 16 bytes long.
 Data: <P  o&#247;           > 50 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000291C6F4D870, 16 bytes long.
 Data: <0  o&#247;           > 30 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000291C6F4DBE0, 16 bytes long.
 Data: <&#224;  o&#247;           > E0 02 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000291C6F4D1E0, 16 bytes long.
 Data: <   o&#247;           > 10 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000291C6F4DC80, 16 bytes long.
 Data: <p  o&#247;           > 70 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000291C6F4D6E0, 16 bytes long.
 Data: < &#192; o&#247;           > 18 C0 0C 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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