Task 38682871

Name test_772-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3966_0
Workunit 31624462
Created 27 Oct 2026, 9:29:01 UTC
Sent 27 Oct 2026, 9:29:06 UTC
Report deadline 1 Nov 2026, 9:29:06 UTC
Received 27 Oct 2026, 10:38:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 21 sec
CPU time 22 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.05 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:15:19 (25220): wrapper (7.9.26016): starting
11:15:19 (25220): 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
11:15:20 (25220): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:15:20 (25220): 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\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 'C:\ProgramData\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
11:38:00 (25220): C:/Windows/system32/cmd.exe exited; CPU time 1379.562500
11:38:00 (25220): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23090507 bytes.
Dumping objects ->
{3835329} normal block at 0x0000024D9A00C980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x0000024D9A00CB40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000024D9A00C9F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x0000024D9A00C2F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000024D9A00CBB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x0000024D9BCDEB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000024D9A03F900, 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) : {3835240} normal block at 0x0000024D99FE1990, 8 bytes long.
 Data: <  &#250; M   > 00 00 FA 99 4D 02 00 00 
{3834594} normal block at 0x0000024D9A040120, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000024D99FE1760, 8 bytes long.
 Data: < p&#254; M   > 10 70 FE 99 4D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024D99FE3910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024D99FD2AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000024D99FE8190, 16 bytes long.
 Data: <(&#138;&#254; M           > 28 8A FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024D99FE83C0, 16 bytes long.
 Data: < &#138;&#254; M           > 00 8A FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024D99FE2020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000024D99FE7B00, 16 bytes long.
 Data: <&#216;&#137;&#254; M           > D8 89 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024D99FE8320, 16 bytes long.
 Data: <&#176;&#137;&#254; M           > B0 89 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024D99FE82D0, 16 bytes long.
 Data: < &#137;&#254; M           > 88 89 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024D99FE7830, 16 bytes long.
 Data: <`&#137;&#254; M           > 60 89 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024D99FE61A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000024D99FE77E0, 16 bytes long.
 Data: <x &#254; M           > 78 0A FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024D99FE1BA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000024D99FE80A0, 16 bytes long.
 Data: <P &#254; M           > 50 0A FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024D99FE7D80, 16 bytes long.
 Data: <( &#254; M           > 28 0A FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024D99FE8050, 16 bytes long.
 Data: <  &#254; M           > 00 0A FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024D99FE7C40, 16 bytes long.
 Data: <&#216;	&#254; M           > D8 09 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024D99FE85F0, 16 bytes long.
 Data: <&#176;	&#254; M           > B0 09 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024D99FE7E20, 16 bytes long.
 Data: < 	&#254; M           > 88 09 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024D99FE1F60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000024D99FE7790, 16 bytes long.
 Data: <`	&#254; M           > 60 09 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024D99FE0960, 320 bytes long.
 Data: < w&#254; M   ` &#254; M   > 90 77 FE 99 4D 02 00 00 60 1F FE 99 4D 02 00 00 
{279} normal block at 0x0000024D99FE7BA0, 16 bytes long.
 Data: <@&#137;&#254; M           > 40 89 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024D99FE8000, 16 bytes long.
 Data: < &#137;&#254; M           > 18 89 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024D99FE2620, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000024D99FE80F0, 16 bytes long.
 Data: <&#240; &#254; M           > F0 88 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024D99FE2440, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000024D99FE8280, 16 bytes long.
 Data: <8 &#254; M           > 38 88 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024D99FE8500, 16 bytes long.
 Data: <  &#254; M           > 10 88 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024D99FE7BF0, 16 bytes long.
 Data: <&#232;&#135;&#254; M           > E8 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024D99FE8230, 16 bytes long.
 Data: <&#192;&#135;&#254; M           > C0 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024D99FE85A0, 16 bytes long.
 Data: < &#135;&#254; M           > 98 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024D99FE8370, 16 bytes long.
 Data: <p&#135;&#254; M           > 70 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024D99FE7B50, 16 bytes long.
 Data: < [&#254; M           > 10 5B FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024D99FE5B10, 40 bytes long.
 Data: <P{&#254; M    &#235;&#205;&#155;M   > 50 7B FE 99 4D 02 00 00 90 EB CD 9B 4D 02 00 00 
{265} normal block at 0x0000024D99FE84B0, 16 bytes long.
 Data: <P&#135;&#254; M           > 50 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024D99FE7FB0, 16 bytes long.
 Data: <(&#135;&#254; M           > 28 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024D99FE2140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000024D99FE7EC0, 16 bytes long.
 Data: < &#135;&#254; M           > 00 87 FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024D99FE8700, 992 bytes long.
 Data: <&#192;~&#254; M   @!&#254; M   > C0 7E FE 99 4D 02 00 00 40 21 FE 99 4D 02 00 00 
{97} normal block at 0x0000024D99FE2080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000024D99FE1350, 16 bytes long.
 Data: <&#208;\&#254; M           > D0 5C FE 99 4D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000024D99FE5CD0, 40 bytes long.
 Data: <P &#254; M     &#254; M   > 50 13 FE 99 4D 02 00 00 80 20 FE 99 4D 02 00 00 
{74} normal block at 0x0000024D99FE1260, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024D99FE1A30, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024D99FE18A0, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024D99FE1120, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024D99FE1030, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024D99FE1670, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024D99FE1850, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024D99FE0F40, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024D99FE1800, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024D99FE1580, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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