Task 38689511

Name test_698-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2961_0
Workunit 31630761
Created 28 Oct 2026, 21:28:06 UTC
Sent 28 Oct 2026, 21:28:11 UTC
Report deadline 2 Nov 2026, 21:28:11 UTC
Received 28 Oct 2026, 21:55:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 19 min 19 sec
CPU time 17 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.25 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:36:04 (47944): wrapper (7.9.26016): starting
22:36:04 (47944): 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
22:36:05 (47944): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:36:05 (47944): 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 'E:\BOINC\data\slots\1\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 'E:\BOINC\data\slots\1\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
22:54:16 (47944): C:/Windows/system32/cmd.exe exited; CPU time 1063.484375
22:54:16 (47944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 26092231 bytes.
Dumping objects ->
{3835311} normal block at 0x00000172C574EDE0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x00000172C57E3150, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x00000172C57E2EB0, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x00000172C57E3090, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x00000172C57E2B50, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x00000172C574F010, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x00000172C57B0A60, 102 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) : {3835222} normal block at 0x00000172C3B00200, 8 bytes long.
 Data: <  &#244;&#195;r   > 00 00 F4 C3 72 01 00 00 
{3834590} normal block at 0x00000172C57B0900, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x00000172C3AFFE90, 8 bytes long.
 Data: <P&#201; &#195;r   > 50 C9 B2 C3 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000172C3AF8A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000172C3AEFDD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000172C3B07B40, 16 bytes long.
 Data: <&#216;~&#176;&#195;r           > D8 7E B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000172C3B06F60, 16 bytes long.
 Data: <&#176;~&#176;&#195;r           > B0 7E B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000172C3B01760, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000172C3B07A50, 16 bytes long.
 Data: < ~&#176;&#195;r           > 88 7E B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000172C3B06CE0, 16 bytes long.
 Data: <`~&#176;&#195;r           > 60 7E B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000172C3B06C90, 16 bytes long.
 Data: <8~&#176;&#195;r           > 38 7E B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000172C3B07460, 16 bytes long.
 Data: < ~&#176;&#195;r           > 10 7E B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000172C3B05870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000172C3B07A00, 16 bytes long.
 Data: <&#168;&#206;&#174;&#195;r           > A8 CE AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000172C3B01A60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000172C3B079B0, 16 bytes long.
 Data: < &#206;&#174;&#195;r           > 80 CE AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000172C3B06EC0, 16 bytes long.
 Data: <X&#206;&#174;&#195;r           > 58 CE AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000172C3B07050, 16 bytes long.
 Data: <0&#206;&#174;&#195;r           > 30 CE AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000172C3B07AF0, 16 bytes long.
 Data: < &#206;&#174;&#195;r           > 08 CE AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000172C3B07370, 16 bytes long.
 Data: <&#224;&#205;&#174;&#195;r           > E0 CD AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000172C3B07910, 16 bytes long.
 Data: <&#184;&#205;&#174;&#195;r           > B8 CD AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000172C3B01C40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000172C3B07190, 16 bytes long.
 Data: < &#205;&#174;&#195;r           > 90 CD AE C3 72 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000172C3AECD90, 320 bytes long.
 Data: < q&#176;&#195;r   @ &#176;&#195;r   > 90 71 B0 C3 72 01 00 00 40 1C B0 C3 72 01 00 00 
{284} normal block at 0x00000172C3B075A0, 16 bytes long.
 Data: <&#240;}&#176;&#195;r           > F0 7D B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000172C3B070F0, 16 bytes long.
 Data: <&#200;}&#176;&#195;r           > C8 7D B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000172C3B02360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000172C3B07870, 16 bytes long.
 Data: <&#160;}&#176;&#195;r           > A0 7D B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000172C3B02180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000172C3B07820, 16 bytes long.
 Data: <&#232;|&#176;&#195;r           > E8 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000172C3B07410, 16 bytes long.
 Data: <&#192;|&#176;&#195;r           > C0 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000172C3B07280, 16 bytes long.
 Data: < |&#176;&#195;r           > 98 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000172C3B06DD0, 16 bytes long.
 Data: <p|&#176;&#195;r           > 70 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000172C3B07960, 16 bytes long.
 Data: <H|&#176;&#195;r           > 48 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000172C3B07AA0, 16 bytes long.
 Data: < |&#176;&#195;r           > 20 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000172C3B078C0, 16 bytes long.
 Data: <@V&#176;&#195;r           > 40 56 B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000172C3B05640, 40 bytes long.
 Data: <&#192;x&#176;&#195;r    &#240;t&#197;r   > C0 78 B0 C3 72 01 00 00 10 F0 74 C5 72 01 00 00 
{270} normal block at 0x00000172C3B077D0, 16 bytes long.
 Data: < |&#176;&#195;r           > 00 7C B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000172C3B070A0, 16 bytes long.
 Data: <&#216;{&#176;&#195;r           > D8 7B B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000172C3B019A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000172C3B07780, 16 bytes long.
 Data: <&#176;{&#176;&#195;r           > B0 7B B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000172C3B07BB0, 992 bytes long.
 Data: < w&#176;&#195;r   &#160; &#176;&#195;r   > 80 77 B0 C3 72 01 00 00 A0 19 B0 C3 72 01 00 00 
{102} normal block at 0x00000172C3B01FA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000172C3AFF670, 16 bytes long.
 Data: <0S&#176;&#195;r           > 30 53 B0 C3 72 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000172C3B05330, 40 bytes long.
 Data: <p&#246;&#175;&#195;r   &#160; &#176;&#195;r   > 70 F6 AF C3 72 01 00 00 A0 1F B0 C3 72 01 00 00 
{79} normal block at 0x00000172C3AFF990, 16 bytes long.
 Data: < &#234;>}&#246;           > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000172C3B00110, 16 bytes long.
 Data: <@&#233;>}&#246;           > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000172C3B00480, 16 bytes long.
 Data: <&#248;W;}&#246;           > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000172C3AFF8F0, 16 bytes long.
 Data: <&#216;W;}&#246;           > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000172C3B00070, 16 bytes long.
 Data: <P ;}&#246;           > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000172C3AFF7B0, 16 bytes long.
 Data: <0 ;}&#246;           > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000172C3B00430, 16 bytes long.
 Data: <&#224; ;}&#246;           > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000172C3AFFC60, 16 bytes long.
 Data: <  ;}&#246;           > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000172C3AFFFD0, 16 bytes long.
 Data: <p ;}&#246;           > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000172C3AFFEE0, 16 bytes long.
 Data: < &#192;9}&#246;           > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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