Task 38663162

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1599_0
Workunit 31606386
Created 24 Oct 2026, 21:26:56 UTC
Sent 24 Oct 2026, 21:27:39 UTC
Report deadline 29 Oct 2026, 21:27:39 UTC
Received 25 Oct 2026, 3:08:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 26 min 49 sec
CPU time 1 hours 16 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.43 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:43:02 (30288): wrapper (7.9.26016): starting
02:43:02 (30288): 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
02:43:05 (30288): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:43:05 (30288): 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\16\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\16\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
04:07:32 (30288): C:/Windows/system32/cmd.exe exited; CPU time 4611.031250
04:07:32 (30288): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 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: 120698753 bytes.
Dumping objects ->
{3835538} normal block at 0x000002BDC7D178A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x000002BDC9AE1A30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x000002BDC9AE2330, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x000002BDC9AE24B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x000002BDC9AE1C10, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x000002BDC7D179F0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x000002BDC7D7C420, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835449} normal block at 0x000002BDC7D0E750, 8 bytes long.
 Data: <   &#200;&#189;   > 00 00 1F C8 BD 02 00 00 
{3834706} normal block at 0x000002BDC7D7C280, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002BDC7D0E5C0, 8 bytes long.
 Data: <&#176;t&#175;&#201;&#189;   > B0 74 AF C9 BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002BDC7D0F670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002BDC7D07BA0, 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 0x000002BDC7D164D0, 16 bytes long.
 Data: < u&#209;&#199;&#189;           > 98 75 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002BDC7D16930, 16 bytes long.
 Data: <pu&#209;&#199;&#189;           > 70 75 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002BDC7D119A0, 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 0x000002BDC7D165C0, 16 bytes long.
 Data: <Hu&#209;&#199;&#189;           > 48 75 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002BDC7D16200, 16 bytes long.
 Data: < u&#209;&#199;&#189;           > 20 75 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002BDC7D16480, 16 bytes long.
 Data: <&#248;t&#209;&#199;&#189;           > F8 74 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002BDC7D16610, 16 bytes long.
 Data: <&#208;t&#209;&#199;&#189;           > D0 74 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BDC7D17980, 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 0x000002BDC7D161B0, 16 bytes long.
 Data: <&#168;&#253;&#207;&#199;&#189;           > A8 FD CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BDC7D10FE0, 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 0x000002BDC7D166B0, 16 bytes long.
 Data: < &#253;&#207;&#199;&#189;           > 80 FD CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BDC7D16430, 16 bytes long.
 Data: <X&#253;&#207;&#199;&#189;           > 58 FD CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BDC7D16570, 16 bytes long.
 Data: <0&#253;&#207;&#199;&#189;           > 30 FD CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BDC7D16B60, 16 bytes long.
 Data: < &#253;&#207;&#199;&#189;           > 08 FD CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BDC7D168E0, 16 bytes long.
 Data: <&#224;&#252;&#207;&#199;&#189;           > E0 FC CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BDC7D15F30, 16 bytes long.
 Data: <&#184;&#252;&#207;&#199;&#189;           > B8 FC CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BDC7D10F80, 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 0x000002BDC7D16840, 16 bytes long.
 Data: < &#252;&#207;&#199;&#189;           > 90 FC CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BDC7CFFC90, 320 bytes long.
 Data: <@h&#209;&#199;&#189;     &#209;&#199;&#189;   > 40 68 D1 C7 BD 02 00 00 80 0F D1 C7 BD 02 00 00 
{281} normal block at 0x000002BDC7D16160, 16 bytes long.
 Data: <&#176;t&#209;&#199;&#189;           > B0 74 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BDC7D15DA0, 16 bytes long.
 Data: < t&#209;&#199;&#189;           > 88 74 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BDC7D11220, 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 0x000002BDC7D16110, 16 bytes long.
 Data: <`t&#209;&#199;&#189;           > 60 74 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BDC7D11160, 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 0x000002BDC7D16520, 16 bytes long.
 Data: <&#168;s&#209;&#199;&#189;           > A8 73 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BDC7D16340, 16 bytes long.
 Data: < s&#209;&#199;&#189;           > 80 73 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BDC7D163E0, 16 bytes long.
 Data: <Xs&#209;&#199;&#189;           > 58 73 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BDC7D15E40, 16 bytes long.
 Data: <0s&#209;&#199;&#189;           > 30 73 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BDC7D16070, 16 bytes long.
 Data: < s&#209;&#199;&#189;           > 08 73 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BDC7D16390, 16 bytes long.
 Data: <&#224;r&#209;&#199;&#189;           > E0 72 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BDC7D167F0, 16 bytes long.
 Data: <&#224; &#209;&#199;&#189;           > E0 07 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BDC7D107E0, 40 bytes long.
 Data: <&#240;g&#209;&#199;&#189;   &#240;y&#209;&#199;&#189;   > F0 67 D1 C7 BD 02 00 00 F0 79 D1 C7 BD 02 00 00 
{267} normal block at 0x000002BDC7D16BB0, 16 bytes long.
 Data: <&#192;r&#209;&#199;&#189;           > C0 72 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BDC7D15FD0, 16 bytes long.
 Data: < r&#209;&#199;&#189;           > 98 72 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BDC7D11460, 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 0x000002BDC7D15D00, 16 bytes long.
 Data: <pr&#209;&#199;&#189;           > 70 72 D1 C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BDC7D17270, 992 bytes long.
 Data: < ]&#209;&#199;&#189;   ` &#209;&#199;&#189;   > 00 5D D1 C7 BD 02 00 00 60 14 D1 C7 BD 02 00 00 
{99} normal block at 0x000002BDC7D11CA0, 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 0x000002BDC7D0EC00, 16 bytes long.
 Data: <P &#207;&#199;&#189;           > 50 98 CF C7 BD 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002BDC7CF9850, 40 bytes long.
 Data: < &#236;&#208;&#199;&#189;   &#160; &#209;&#199;&#189;   > 00 EC D0 C7 BD 02 00 00 A0 1C D1 C7 BD 02 00 00 
{76} normal block at 0x000002BDC7D0ECF0, 16 bytes long.
 Data: < &#234;b&#185;&#246;           > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002BDC7D0E7A0, 16 bytes long.
 Data: <@&#233;b&#185;&#246;           > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002BDC7D0E660, 16 bytes long.
 Data: <&#248;W_&#185;&#246;           > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002BDC7D0EF70, 16 bytes long.
 Data: <&#216;W_&#185;&#246;           > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002BDC7D0EBB0, 16 bytes long.
 Data: <P _&#185;&#246;           > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002BDC7D0E840, 16 bytes long.
 Data: <0 _&#185;&#246;           > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002BDC7D0E1B0, 16 bytes long.
 Data: <&#224; _&#185;&#246;           > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002BDC7D0E2F0, 16 bytes long.
 Data: <  _&#185;&#246;           > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BDC7D0E390, 16 bytes long.
 Data: <p _&#185;&#246;           > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BDC7D0E160, 16 bytes long.
 Data: < &#192;]&#185;&#246;           > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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