Task 38673540

Name test_776-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7159_0
Workunit 31615612
Created 26 Oct 2026, 2:41:26 UTC
Sent 26 Oct 2026, 2:41:31 UTC
Report deadline 31 Oct 2026, 2:41:31 UTC
Received 26 Oct 2026, 3:03:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 21 min 50 sec
CPU time 20 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.94 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:42:34 (28780): wrapper (7.9.26016): starting
22:42:34 (28780): 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
22:42:35 (28780): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:42:35 (28780): 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 'G:\BoincData\slots\17\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 'G:\BoincData\slots\17\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
23:03:32 (28780): C:/Windows/system32/cmd.exe exited; CPU time 1235.984375
23:03:32 (28780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 26760629 bytes.
Dumping objects ->
{3835574} normal block at 0x00000153DD061410, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x00000153DD1A6450, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x00000153DD1A62D0, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x00000153DD1A5DF0, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x00000153DD1A5D30, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x00000153DD060C30, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x00000153DB3BFB40, 8 bytes long.
 Data: <  4&#219;S   > 00 00 34 DB 53 01 00 00 
{3833957} normal block at 0x00000153DB3BFAF0, 8 bytes long.
 Data: < b;&#219;S   > 10 62 3B DB 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000153DB3C17D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000153DB3BA570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000153DB3CD160, 16 bytes long.
 Data: <X&#222;<&#219;S           > 58 DE 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000153DB3CD660, 16 bytes long.
 Data: <0&#222;<&#219;S           > 30 DE 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000153DB3C9CA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000153DB3CCD00, 16 bytes long.
 Data: < &#222;<&#219;S           > 08 DE 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000153DB3CD7F0, 16 bytes long.
 Data: <&#224;&#221;<&#219;S           > E0 DD 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000153DB3CD750, 16 bytes long.
 Data: <&#184;&#221;<&#219;S           > B8 DD 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000153DB3CCC60, 16 bytes long.
 Data: < &#221;<&#219;S           > 90 DD 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000153DB3C7020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000153DB3CDA70, 16 bytes long.
 Data: <x&#139;;&#219;S           > 78 8B 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000153DB3C9580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000153DB3CCCB0, 16 bytes long.
 Data: <P&#139;;&#219;S           > 50 8B 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000153DB3CD2F0, 16 bytes long.
 Data: <(&#139;;&#219;S           > 28 8B 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000153DB3CD9D0, 16 bytes long.
 Data: < &#139;;&#219;S           > 00 8B 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000153DB3CCE90, 16 bytes long.
 Data: <&#216;&#138;;&#219;S           > D8 8A 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000153DB3CD570, 16 bytes long.
 Data: <&#176;&#138;;&#219;S           > B0 8A 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000153DB3CD430, 16 bytes long.
 Data: < &#138;;&#219;S           > 88 8A 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000153DB3CA000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000153DB3CCD50, 16 bytes long.
 Data: <`&#138;;&#219;S           > 60 8A 3B DB 53 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000153DB3B8A60, 320 bytes long.
 Data: <P&#205;<&#219;S    &#160;<&#219;S   > 50 CD 3C DB 53 01 00 00 00 A0 3C DB 53 01 00 00 
{274} normal block at 0x00000153DB3CCBC0, 16 bytes long.
 Data: <p&#221;<&#219;S           > 70 DD 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000153DB3CD110, 16 bytes long.
 Data: <H&#221;<&#219;S           > 48 DD 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000153DB3C9700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000153DB3CD840, 16 bytes long.
 Data: < &#221;<&#219;S           > 20 DD 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000153DB3C9460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000153DB3CD070, 16 bytes long.
 Data: <h&#220;<&#219;S           > 68 DC 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000153DB3CDA20, 16 bytes long.
 Data: <@&#220;<&#219;S           > 40 DC 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000153DB3CD6B0, 16 bytes long.
 Data: < &#220;<&#219;S           > 18 DC 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000153DB3CD5C0, 16 bytes long.
 Data: <&#240;&#219;<&#219;S           > F0 DB 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000153DB3CD700, 16 bytes long.
 Data: <&#200;&#219;<&#219;S           > C8 DB 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000153DB3CCB70, 16 bytes long.
 Data: <&#160;&#219;<&#219;S           > A0 DB 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000153DB3CCE40, 16 bytes long.
 Data: < p<&#219;S           > 90 70 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000153DB3C7090, 40 bytes long.
 Data: <@&#206;<&#219;S   0  &#221;S   > 40 CE 3C DB 53 01 00 00 30 0C 06 DD 53 01 00 00 
{260} normal block at 0x00000153DB3CD0C0, 16 bytes long.
 Data: < &#219;<&#219;S           > 80 DB 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000153DB3CD340, 16 bytes long.
 Data: <X&#219;<&#219;S           > 58 DB 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000153DB3C9FA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000153DB3CD520, 16 bytes long.
 Data: <0&#219;<&#219;S           > 30 DB 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000153DB3CDB30, 992 bytes long.
 Data: < &#213;<&#219;S   &#160;&#159;<&#219;S   > 20 D5 3C DB 53 01 00 00 A0 9F 3C DB 53 01 00 00 
{92} normal block at 0x00000153DB3C93A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000153DB3BF960, 16 bytes long.
 Data: < m<&#219;S           > 80 6D 3C DB 53 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000153DB3C6D80, 40 bytes long.
 Data: <`&#249;;&#219;S   &#160;&#147;<&#219;S   > 60 F9 3B DB 53 01 00 00 A0 93 3C DB 53 01 00 00 
{69} normal block at 0x00000153DB3BF8C0, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000153DB3BFAA0, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000153DB3BF640, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000153DB3BF870, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000153DB3BEF60, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000153DB3BEF10, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000153DB3BF550, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000153DB3BFB90, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000153DB3BF820, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000153DB3BF320, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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