Task 38672302

Name test_395-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6872_0
Workunit 31614456
Created 25 Oct 2026, 23:02:05 UTC
Sent 25 Oct 2026, 23:02:11 UTC
Report deadline 30 Oct 2026, 23:02:11 UTC
Received 26 Oct 2026, 11:46:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 18 min 33 sec
CPU time 17 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.32 MB
Peak swap size 13.06 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
12:28:17 (19292): wrapper (7.9.26016): starting
12:28:17 (19292): 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
12:28:18 (19292): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:28:18 (19292): 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:\DataBOINC\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 'C:\DataBOINC\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
12:46:03 (19292): C:/Windows/system32/cmd.exe exited; CPU time 1037.171875
12:46:03 (19292): 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: 19776423 bytes.
Dumping objects ->
{3835610} normal block at 0x00000110C2615050, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x00000110C43AF880, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x00000110C43B0420, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x00000110C43B0360, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x00000110C43AFC40, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x00000110C26152F0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x00000110C437F5D0, 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) : {3835521} normal block at 0x00000110C260DF90, 8 bytes long.
 Data: <  H&#196;    > 00 00 48 C4 10 01 00 00 
{3834715} normal block at 0x00000110C437F1B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000110C260E260, 8 bytes long.
 Data: < &#229;'&#196;    > 00 E5 27 C4 10 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000110C2611AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000110C2606920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000110C2616980, 16 bytes long.
 Data: <Hoa&#194;            > 48 6F 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000110C2616610, 16 bytes long.
 Data: < oa&#194;            > 20 6F 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000110C260FC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000110C2615EE0, 16 bytes long.
 Data: <&#248;na&#194;            > F8 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000110C2615E40, 16 bytes long.
 Data: <&#208;na&#194;            > D0 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000110C26167F0, 16 bytes long.
 Data: <&#168;na&#194;            > A8 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000110C2616570, 16 bytes long.
 Data: < na&#194;            > 80 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000110C26150C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000110C2616390, 16 bytes long.
 Data: <&#216;&#148;`&#194;            > D8 94 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000110C260F9D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000110C2616930, 16 bytes long.
 Data: <&#176;&#148;`&#194;            > B0 94 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000110C2616B60, 16 bytes long.
 Data: < &#148;`&#194;            > 88 94 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000110C2616B10, 16 bytes long.
 Data: <`&#148;`&#194;            > 60 94 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000110C2616430, 16 bytes long.
 Data: <8&#148;`&#194;            > 38 94 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000110C26169D0, 16 bytes long.
 Data: < &#148;`&#194;            > 10 94 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000110C2615CB0, 16 bytes long.
 Data: <&#232;&#147;`&#194;            > E8 93 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000110C2610030, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000110C2616840, 16 bytes long.
 Data: <&#192;&#147;`&#194;            > C0 93 60 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000110C26093C0, 320 bytes long.
 Data: <@ha&#194;    0 a&#194;    > 40 68 61 C2 10 01 00 00 30 00 61 C2 10 01 00 00 
{276} normal block at 0x00000110C2616A20, 16 bytes long.
 Data: <`na&#194;            > 60 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000110C2616020, 16 bytes long.
 Data: <8na&#194;            > 38 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000110C26103F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000110C26165C0, 16 bytes long.
 Data: < na&#194;            > 10 6E 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000110C260F5B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000110C2616520, 16 bytes long.
 Data: <Xma&#194;            > 58 6D 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000110C2616160, 16 bytes long.
 Data: <0ma&#194;            > 30 6D 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000110C2615DF0, 16 bytes long.
 Data: < ma&#194;            > 08 6D 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000110C2615C60, 16 bytes long.
 Data: <&#224;la&#194;            > E0 6C 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000110C2615DA0, 16 bytes long.
 Data: <&#184;la&#194;            > B8 6C 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000110C2615F80, 16 bytes long.
 Data: < la&#194;            > 90 6C 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000110C2615D50, 16 bytes long.
 Data: <`Sa&#194;            > 60 53 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000110C2615360, 40 bytes long.
 Data: <P]a&#194;    &#240;Ra&#194;    > 50 5D 61 C2 10 01 00 00 F0 52 61 C2 10 01 00 00 
{262} normal block at 0x00000110C2616200, 16 bytes long.
 Data: <pla&#194;            > 70 6C 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000110C2615E90, 16 bytes long.
 Data: <Hla&#194;            > 48 6C 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000110C260F7F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000110C26164D0, 16 bytes long.
 Data: < la&#194;            > 20 6C 61 C2 10 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000110C2616C20, 992 bytes long.
 Data: <&#208;da&#194;    &#240;&#247;`&#194;    > D0 64 61 C2 10 01 00 00 F0 F7 60 C2 10 01 00 00 
{94} normal block at 0x00000110C260FDF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000110C260DF40, 16 bytes long.
 Data: <&#208;&#246;_&#194;            > D0 F6 5F C2 10 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000110C25FF6D0, 40 bytes long.
 Data: <@&#223;`&#194;    &#240;&#253;`&#194;    > 40 DF 60 C2 10 01 00 00 F0 FD 60 C2 10 01 00 00 
{71} normal block at 0x00000110C260DB30, 16 bytes long.
 Data: < &#234;!Q&#247;           > 80 EA 21 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000110C260E580, 16 bytes long.
 Data: <@&#233;!Q&#247;           > 40 E9 21 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000110C260DD60, 16 bytes long.
 Data: <&#248;W Q&#247;           > F8 57 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000110C260DAE0, 16 bytes long.
 Data: <&#216;W Q&#247;           > D8 57 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000110C260E490, 16 bytes long.
 Data: <P  Q&#247;           > 50 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000110C260DEF0, 16 bytes long.
 Data: <0  Q&#247;           > 30 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000110C260DC70, 16 bytes long.
 Data: <&#224;  Q&#247;           > E0 02 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000110C260E440, 16 bytes long.
 Data: <   Q&#247;           > 10 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000110C260E210, 16 bytes long.
 Data: <p  Q&#247;           > 70 04 1E 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000110C260DBD0, 16 bytes long.
 Data: < &#192; Q&#247;           > 18 C0 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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