Task 38687528

Name test_535-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4973_0
Workunit 31628914
Created 28 Oct 2026, 8:18:38 UTC
Sent 28 Oct 2026, 8:18:40 UTC
Report deadline 2 Nov 2026, 8:18:40 UTC
Received 28 Oct 2026, 10:11:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 6 min 38 sec
CPU time 1 hours 2 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.55 MB
Peak swap size 2.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:04:36 (3576): wrapper (7.9.26016): starting
11:04:36 (3576): 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
11:04:57 (3576): Library/usr/bin/tar.exe exited; CPU time 0.125000
11:04:57 (3576): 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\slots\3\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\slots\3\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: Exiting with failure status due to previous errors
12:10:33 (3576): C:/Windows/system32/cmd.exe exited; CPU time 3721.187500
12:10:33 (3576): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 50909376 bytes.
Dumping objects ->
{3835460} normal block at 0x0000012DF17573A0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000012DF37362B0, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x0000012DF3735E30, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x0000012DF3735DD0, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x0000012DF3735CB0, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x0000012DF1757020, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x0000012DF36209D0, 85 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) : {3835371} normal block at 0x0000012DF1727150, 8 bytes long.
 Data: <  j&#241;-   > 00 00 6A F1 2D 01 00 00 
{3834651} normal block at 0x0000012DF3620750, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000012DF1727650, 8 bytes long.
 Data: < xx&#243;-   > 00 78 78 F3 2D 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000012DF17339A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012DF1718CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000012DF1731BB0, 16 bytes long.
 Data: < 1s&#241;-           > 08 31 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012DF1731B60, 16 bytes long.
 Data: <&#224;0s&#241;-           > E0 30 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012DF172BE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000012DF1731A20, 16 bytes long.
 Data: <&#184;0s&#241;-           > B8 30 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012DF17328D0, 16 bytes long.
 Data: < 0s&#241;-           > 90 30 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012DF1731B10, 16 bytes long.
 Data: <h0s&#241;-           > 68 30 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012DF1732830, 16 bytes long.
 Data: <@0s&#241;-           > 40 30 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012DF172D820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000012DF1732920, 16 bytes long.
 Data: <H&#192;q&#241;-           > 48 C0 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012DF172C4A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000012DF1732290, 16 bytes long.
 Data: < &#192;q&#241;-           > 20 C0 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012DF1731AC0, 16 bytes long.
 Data: <&#248;&#191;q&#241;-           > F8 BF 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012DF1732240, 16 bytes long.
 Data: <&#208;&#191;q&#241;-           > D0 BF 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012DF1732380, 16 bytes long.
 Data: <&#168;&#191;q&#241;-           > A8 BF 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012DF1731E80, 16 bytes long.
 Data: < &#191;q&#241;-           > 80 BF 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012DF17327E0, 16 bytes long.
 Data: <X&#191;q&#241;-           > 58 BF 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012DF172B9C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000012DF1731D90, 16 bytes long.
 Data: <0&#191;q&#241;-           > 30 BF 71 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012DF171BF30, 320 bytes long.
 Data: <  s&#241;-   &#192;&#185;r&#241;-   > 90 1D 73 F1 2D 01 00 00 C0 B9 72 F1 2D 01 00 00 
{270} normal block at 0x0000012DF1732150, 16 bytes long.
 Data: < 0s&#241;-           > 20 30 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012DF1732740, 16 bytes long.
 Data: <&#248;/s&#241;-           > F8 2F 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012DF172B960, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000012DF1732650, 16 bytes long.
 Data: <&#208;/s&#241;-           > D0 2F 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012DF172BBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000012DF17324C0, 16 bytes long.
 Data: < /s&#241;-           > 18 2F 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012DF1732600, 16 bytes long.
 Data: <&#240;.s&#241;-           > F0 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012DF17321A0, 16 bytes long.
 Data: <&#200;.s&#241;-           > C8 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012DF1732010, 16 bytes long.
 Data: <&#160;.s&#241;-           > A0 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012DF1731FC0, 16 bytes long.
 Data: <x.s&#241;-           > 78 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012DF1732330, 16 bytes long.
 Data: <P.s&#241;-           > 50 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012DF1731ED0, 16 bytes long.
 Data: <&#176;&#215;r&#241;-           > B0 D7 72 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000012DF172D7B0, 40 bytes long.
 Data: <&#208; s&#241;-    pu&#241;-   > D0 1E 73 F1 2D 01 00 00 20 70 75 F1 2D 01 00 00 
{256} normal block at 0x0000012DF17323D0, 16 bytes long.
 Data: <0.s&#241;-           > 30 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000012DF1732790, 16 bytes long.
 Data: < .s&#241;-           > 08 2E 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000012DF172BB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000012DF1732560, 16 bytes long.
 Data: <&#224;-s&#241;-           > E0 2D 73 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000012DF1732DE0, 992 bytes long.
 Data: <`%s&#241;-   @&#187;r&#241;-   > 60 25 73 F1 2D 01 00 00 40 BB 72 F1 2D 01 00 00 
{88} normal block at 0x0000012DF172C7A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000012DF1727740, 16 bytes long.
 Data: <&#224;&#217;r&#241;-           > E0 D9 72 F1 2D 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000012DF172D9E0, 40 bytes long.
 Data: <@wr&#241;-   &#160;&#199;r&#241;-   > 40 77 72 F1 2D 01 00 00 A0 C7 72 F1 2D 01 00 00 
{65} normal block at 0x0000012DF1726D40, 16 bytes long.
 Data: < &#234;R&#204;&#247;           > 80 EA 52 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012DF17279C0, 16 bytes long.
 Data: <@&#233;R&#204;&#247;           > 40 E9 52 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012DF1726CF0, 16 bytes long.
 Data: <&#248;WO&#204;&#247;           > F8 57 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012DF1727600, 16 bytes long.
 Data: <&#216;WO&#204;&#247;           > D8 57 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012DF1726CA0, 16 bytes long.
 Data: <P O&#204;&#247;           > 50 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000012DF17270B0, 16 bytes long.
 Data: <0 O&#204;&#247;           > 30 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000012DF1726C50, 16 bytes long.
 Data: <&#224; O&#204;&#247;           > E0 02 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000012DF1727510, 16 bytes long.
 Data: <  O&#204;&#247;           > 10 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000012DF1727010, 16 bytes long.
 Data: <p O&#204;&#247;           > 70 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000012DF1726FC0, 16 bytes long.
 Data: < &#192;M&#204;&#247;           > 18 C0 4D CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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