Task 38674489

Name test_25-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7845_1
Workunit 31616504
Created 26 Oct 2026, 5:26:58 UTC
Sent 26 Oct 2026, 5:27:09 UTC
Report deadline 31 Oct 2026, 5:27:09 UTC
Received 26 Oct 2026, 7:54:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628418
Run time 39 min 38 sec
CPU time 39 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.58 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:13:49 (24848): wrapper (7.9.26016): starting
07:13:49 (24848): 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
07:13:50 (24848): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:13:50 (24848): 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_DATA\slots\0\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_DATA\slots\0\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
07:52:15 (24848): C:/Windows/system32/cmd.exe exited; CPU time 2366.718750
07:52:15 (24848): 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: 38651547 bytes.
Dumping objects ->
{3835248} normal block at 0x000001E5CDEE0D80, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835237} normal block at 0x000001E5CE026280, 32 bytes long.
 Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835226} normal block at 0x000001E5CE026460, 32 bytes long.
 Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54 
{3835215} normal block at 0x000001E5CE026400, 32 bytes long.
 Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835204} normal block at 0x000001E5CE0264C0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835173} normal block at 0x000001E5CDEE1560, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835162} normal block at 0x000001E5CE031950, 180 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) : {3835159} normal block at 0x000001E5CC337000, 8 bytes long.
 Data: <  /&#204;&#229;   > 00 00 2F CC E5 01 00 00 
{3834561} normal block at 0x000001E5CE031590, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001E5CC3377D0, 8 bytes long.
 Data: < s &#206;&#229;   > 20 73 02 CE E5 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001E5CC341DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E5CC32B090, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001E5CC343010, 16 bytes long.
 Data: <hA4&#204;&#229;           > 68 41 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E5CC343BF0, 16 bytes long.
 Data: <@A4&#204;&#229;           > 40 41 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E5CC33C430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001E5CC343BA0, 16 bytes long.
 Data: < A4&#204;&#229;           > 18 41 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E5CC343D30, 16 bytes long.
 Data: <&#240;@4&#204;&#229;           > F0 40 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E5CC343B50, 16 bytes long.
 Data: <&#200;@4&#204;&#229;           > C8 40 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E5CC343920, 16 bytes long.
 Data: <&#160;@4&#204;&#229;           > A0 40 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E5CC33D940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001E5CC343C90, 16 bytes long.
 Data: < a2&#204;&#229;           > 88 61 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E5CC33C490, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001E5CC343600, 16 bytes long.
 Data: <`a2&#204;&#229;           > 60 61 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E5CC3433D0, 16 bytes long.
 Data: <8a2&#204;&#229;           > 38 61 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E5CC343A60, 16 bytes long.
 Data: < a2&#204;&#229;           > 10 61 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E5CC343330, 16 bytes long.
 Data: <&#232;`2&#204;&#229;           > E8 60 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E5CC3438D0, 16 bytes long.
 Data: <&#192;`2&#204;&#229;           > C0 60 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E5CC343100, 16 bytes long.
 Data: < `2&#204;&#229;           > 98 60 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E5CC33BFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001E5CC343B00, 16 bytes long.
 Data: <p`2&#204;&#229;           > 70 60 32 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E5CC326070, 320 bytes long.
 Data: < ;4&#204;&#229;   &#176;&#191;3&#204;&#229;   > 00 3B 34 CC E5 01 00 00 B0 BF 33 CC E5 01 00 00 
{278} normal block at 0x000001E5CC3439C0, 16 bytes long.
 Data: < @4&#204;&#229;           > 80 40 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E5CC3435B0, 16 bytes long.
 Data: <X@4&#204;&#229;           > 58 40 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E5CC33BB90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001E5CC343A10, 16 bytes long.
 Data: <0@4&#204;&#229;           > 30 40 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E5CC33BDD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001E5CC343880, 16 bytes long.
 Data: <x?4&#204;&#229;           > 78 3F 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E5CC343790, 16 bytes long.
 Data: <P?4&#204;&#229;           > 50 3F 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E5CC343740, 16 bytes long.
 Data: <(?4&#204;&#229;           > 28 3F 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E5CC3436F0, 16 bytes long.
 Data: < ?4&#204;&#229;           > 00 3F 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E5CC343560, 16 bytes long.
 Data: <&#216;>4&#204;&#229;           > D8 3E 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E5CC343510, 16 bytes long.
 Data: <&#176;>4&#204;&#229;           > B0 3E 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E5CC343AB0, 16 bytes long.
 Data: <&#160;&#214;3&#204;&#229;           > A0 D6 33 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E5CC33D6A0, 40 bytes long.
 Data: <&#176;:4&#204;&#229;   ` &#238;&#205;&#229;   > B0 3A 34 CC E5 01 00 00 60 15 EE CD E5 01 00 00 
{264} normal block at 0x000001E5CC343830, 16 bytes long.
 Data: < >4&#204;&#229;           > 90 3E 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E5CC3434C0, 16 bytes long.
 Data: <h>4&#204;&#229;           > 68 3E 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E5CC33BE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001E5CC343970, 16 bytes long.
 Data: <@>4&#204;&#229;           > 40 3E 34 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E5CC343E40, 992 bytes long.
 Data: <p94&#204;&#229;   0&#190;3&#204;&#229;   > 70 39 34 CC E5 01 00 00 30 BE 33 CC E5 01 00 00 
{96} normal block at 0x000001E5CC33BD10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001E5CC3370F0, 16 bytes long.
 Data: <p&#212;3&#204;&#229;           > 70 D4 33 CC E5 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001E5CC33D470, 40 bytes long.
 Data: <&#240;p3&#204;&#229;    &#189;3&#204;&#229;   > F0 70 33 CC E5 01 00 00 10 BD 33 CC E5 01 00 00 
{73} normal block at 0x000001E5CC3376E0, 16 bytes long.
 Data: < &#234;&#207;U&#247;           > 80 EA CF 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E5CC337640, 16 bytes long.
 Data: <@&#233;&#207;U&#247;           > 40 E9 CF 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E5CC3375F0, 16 bytes long.
 Data: <&#248;W&#204;U&#247;           > F8 57 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E5CC336E20, 16 bytes long.
 Data: <&#216;W&#204;U&#247;           > D8 57 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E5CC336C40, 16 bytes long.
 Data: <P &#204;U&#247;           > 50 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E5CC336D80, 16 bytes long.
 Data: <0 &#204;U&#247;           > 30 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E5CC337550, 16 bytes long.
 Data: <&#224; &#204;U&#247;           > E0 02 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E5CC337460, 16 bytes long.
 Data: <  &#204;U&#247;           > 10 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E5CC3370A0, 16 bytes long.
 Data: <p &#204;U&#247;           > 70 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E5CC337410, 16 bytes long.
 Data: < &#192;&#202;U&#247;           > 18 C0 CA 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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