Task 38696053

Name test_248-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2980_0
Workunit 31636711
Created 31 Oct 2026, 18:37:45 UTC
Sent 31 Oct 2026, 18:37:52 UTC
Report deadline 5 Nov 2026, 18:37:52 UTC
Received 31 Oct 2026, 19:07:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 578932
Run time 25 min 37 sec
CPU time 24 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,102.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.12 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:42:09 (58568): wrapper (7.9.26016): starting
18:42:09 (58568): 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
18:42:10 (58568): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:42:10 (58568): 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 'D:\BOINC\slots\6\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 'D:\BOINC\slots\6\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
19:06:47 (58568): C:/Windows/system32/cmd.exe exited; CPU time 1461.890625
19:06:47 (58568): 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: 37850283 bytes.
Dumping objects ->
{3835295} normal block at 0x0000018994BD5E10, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835284} normal block at 0x000001899683A7F0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835273} normal block at 0x000001899683A370, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835262} normal block at 0x000001899683A5B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835251} normal block at 0x000001899683A1F0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835220} normal block at 0x0000018994BD58D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835207} normal block at 0x0000018994BC8C90, 8 bytes long.
 Data: <  &#182;&#148;&#137;   > 00 00 B6 94 89 01 00 00 
{3834000} normal block at 0x0000018994BC9190, 8 bytes long.
 Data: < h&#132;&#150;&#137;   > 00 68 84 96 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000018994BD49E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000018994BD6930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x0000018994BD7980, 16 bytes long.
 Data: <&#200;~&#189;&#148;&#137;           > C8 7E BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000018994BD6FD0, 16 bytes long.
 Data: <&#160;~&#189;&#148;&#137;           > A0 7E BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000018994BCDA00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x0000018994BD6DF0, 16 bytes long.
 Data: <x~&#189;&#148;&#137;           > 78 7E BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000018994BD77A0, 16 bytes long.
 Data: <P~&#189;&#148;&#137;           > 50 7E BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000018994BD6C60, 16 bytes long.
 Data: <(~&#189;&#148;&#137;           > 28 7E BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000018994BD76B0, 16 bytes long.
 Data: < ~&#189;&#148;&#137;           > 00 7E BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000018994BD5C50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x0000018994BD7660, 16 bytes long.
 Data: <&#200;h&#189;&#148;&#137;           > C8 68 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000018994BCDE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x0000018994BD75C0, 16 bytes long.
 Data: <&#160;h&#189;&#148;&#137;           > A0 68 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018994BD6BC0, 16 bytes long.
 Data: <xh&#189;&#148;&#137;           > 78 68 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018994BD72A0, 16 bytes long.
 Data: <Ph&#189;&#148;&#137;           > 50 68 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018994BD6B70, 16 bytes long.
 Data: <(h&#189;&#148;&#137;           > 28 68 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018994BD70C0, 16 bytes long.
 Data: < h&#189;&#148;&#137;           > 00 68 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018994BD6F30, 16 bytes long.
 Data: <&#216;g&#189;&#148;&#137;           > D8 67 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018994BCE180, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x0000018994BD7430, 16 bytes long.
 Data: <&#176;g&#189;&#148;&#137;           > B0 67 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018994BD67B0, 320 bytes long.
 Data: <0t&#189;&#148;&#137;    &#225;&#188;&#148;&#137;   > 30 74 BD 94 89 01 00 00 80 E1 BC 94 89 01 00 00 
{293} normal block at 0x0000018994BD6A30, 16 bytes long.
 Data: <&#224;}&#189;&#148;&#137;           > E0 7D BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018994BD6E90, 16 bytes long.
 Data: <&#184;}&#189;&#148;&#137;           > B8 7D BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018994BCD640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x0000018994BD7520, 16 bytes long.
 Data: < }&#189;&#148;&#137;           > 90 7D BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018994BCE240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x0000018994BD72F0, 16 bytes long.
 Data: <&#216;|&#189;&#148;&#137;           > D8 7C BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018994BD7070, 16 bytes long.
 Data: <&#176;|&#189;&#148;&#137;           > B0 7C BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018994BD6DA0, 16 bytes long.
 Data: < |&#189;&#148;&#137;           > 88 7C BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018994BD73E0, 16 bytes long.
 Data: <`|&#189;&#148;&#137;           > 60 7C BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018994BD6C10, 16 bytes long.
 Data: <8|&#189;&#148;&#137;           > 38 7C BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018994BD6B20, 16 bytes long.
 Data: < |&#189;&#148;&#137;           > 10 7C BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018994BD7750, 16 bytes long.
 Data: < a&#189;&#148;&#137;           > 20 61 BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018994BD6120, 40 bytes long.
 Data: <Pw&#189;&#148;&#137;   &#208;X&#189;&#148;&#137;   > 50 77 BD 94 89 01 00 00 D0 58 BD 94 89 01 00 00 
{279} normal block at 0x0000018994BD7340, 16 bytes long.
 Data: <&#240;{&#189;&#148;&#137;           > F0 7B BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018994BD7250, 16 bytes long.
 Data: <&#200;{&#189;&#148;&#137;           > C8 7B BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018994BCDEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x0000018994BD74D0, 16 bytes long.
 Data: <&#160;{&#189;&#148;&#137;           > A0 7B BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018994BD7BA0, 992 bytes long.
 Data: <&#208;t&#189;&#148;&#137;   &#224;&#222;&#188;&#148;&#137;   > D0 74 BD 94 89 01 00 00 E0 DE BC 94 89 01 00 00 
{111} normal block at 0x0000018994BCDDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x0000018994BC8EC0, 16 bytes long.
 Data: <` &#189;&#148;&#137;           > 60 1D BD 94 89 01 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000018994BD1D60, 40 bytes long.
 Data: <&#192;&#142;&#188;&#148;&#137;   &#192;&#221;&#188;&#148;&#137;   > C0 8E BC 94 89 01 00 00 C0 DD BC 94 89 01 00 00 
{88} normal block at 0x0000018994BC91E0, 16 bytes long.
 Data: < &#234; &#162;&#247;           > 80 EA 00 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000018994BC8C40, 16 bytes long.
 Data: <@&#233; &#162;&#247;           > 40 E9 00 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000018994BC90F0, 16 bytes long.
 Data: <&#248;W&#253;&#161;&#247;           > F8 57 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000018994BC8FB0, 16 bytes long.
 Data: <&#216;W&#253;&#161;&#247;           > D8 57 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000018994BC8E20, 16 bytes long.
 Data: <P &#253;&#161;&#247;           > 50 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000018994BC9500, 16 bytes long.
 Data: <0 &#253;&#161;&#247;           > 30 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000018994BC8DD0, 16 bytes long.
 Data: <&#224; &#253;&#161;&#247;           > E0 02 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000018994BC8BA0, 16 bytes long.
 Data: <  &#253;&#161;&#247;           > 10 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000018994BC93C0, 16 bytes long.
 Data: <p &#253;&#161;&#247;           > 70 04 FD A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000018994BC9320, 16 bytes long.
 Data: < &#192;&#251;&#161;&#247;           > 18 C0 FB A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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